NA4TOMTZ
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### CCP4 4.2: NA4TOMTZ ##########
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User: mdw Run date: 28/ 2/2003 Run time: 16:16:09
Please reference: Collaborative Computational Project, Number 4. 1994.
"The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
as well as any specific reference in the program write-up.
NOTE: This version accepts run-length encoded input.
FORMATTED OLD file opened on unit 55
Logical name: HKLIN, Full name: toxd.na4
Data line--- VERS MTZ:V1.1
Data line--- NCOL 13 3217 0
Data line--- COLUMN H H 0.000000E+00 3.100000E+01 1 19 1
Data line--- COLUMN K H 0.000000E+00 1.600000E+01 1 19 1
Data line--- COLUMN L H 0.000000E+00 1.000000E+01 1 20 1
Data line--- COLUMN FTOXD3 F 0.000000E+00 2.015400E+04 1 9 1
Data line--- COLUMN SIGFTOXD3 Q 0.000000E+00 4.650000E+02 1 15 1
Data line--- COLUMN ANAU20 D -1.210000E+03 1.318000E+03 0 12 2
Data line--- COLUMN SIGANAU20 Q 0.000000E+00 6.730000E+02 1 14 2
Data line--- COLUMN FAU20 F 0.000000E+00 2.519000E+04 1 9 2
Data line--- COLUMN SIGFAU20 Q 0.000000E+00 1.183000E+03 1 13 2
Data line--- COLUMN FMM11 F 0.000000E+00 1.505800E+04 1 10 3
Data line--- COLUMN SIGFMM11 Q 0.000000E+00 5.790000E+02 1 14 3
Data line--- COLUMN FI100 F 0.000000E+00 1.993800E+04 1 9 4
Data line--- COLUMN SIGFI100 Q 0.000000E+00 4.850000E+02 1 15 4
Data line--- TITLE Dendrotoxin from green mamba (1dtx) - Tadeusz Skarzynski 1992.
Data line--- NDIFFRN 4
Data line--- PROJECT 1 TOXD
Data line--- CRYSTAL 1 NATIVE
Data line--- DATASET 1 NATIVE
Data line--- DCELL 1 73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
Data line--- PROJECT 2 TOXD
Data line--- CRYSTAL 2 DERIV_AU
Data line--- DATASET 2 DERIV_AU
Data line--- DCELL 2 73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
Data line--- PROJECT 3 TOXD
Data line--- CRYSTAL 3 DERIV_MM
Data line--- DATASET 3 DERIV_MM
Data line--- DCELL 3 73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
Data line--- PROJECT 4 TOXD
Data line--- CRYSTAL 4 DERIV_I
Data line--- DATASET 4 DERIV_I
Data line--- DCELL 4 73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
Data line--- SORT 1 2 3 0 0
Data line--- SYMINF 4 4 P 19 P212121 PG222
Data line--- SYMM X, Y, Z
Data line--- SYMM -X+1/2, -Y, Z+1/2
Data line--- SYMM -X, Y+1/2, -Z+1/2
Data line--- SYMM X+1/2, -Y+1/2, -Z
Data line--- ENDH
HEADER INFORMATION FROM OUTPUT MTZ FILE
Logical Name: HKLOUT Filename: toxd_old.mtz
* Title:
Dendrotoxin from green mamba (1dtx) - Tadeusz Skarzynski 1992.
* Number of Datasets = 4
* Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:
1 TOXD
NATIVE
NATIVE
73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
0.00000
2 TOXD
DERIV_AU
DERIV_AU
73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
0.00000
3 TOXD
DERIV_MM
DERIV_MM
73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
0.00000
4 TOXD
DERIV_I
DERIV_I
73.5820 38.7330 23.1890 90.0000 90.0000 90.0000
0.00000
* Number of Columns = 13
* Number of Reflections = 3217
* Missing value set to NaN in input mtz file
* HISTORY for current MTZ file :
Sorted on 8/24/92 using keys: H K L
File converted to MTZ file mark 1 on 18/ 6/92
From NA4TOMTZ, 13/10/94 10:12:30
From NA4TOMTZ 28/ 2/2003 16:16:09
* Column Labels :
H K L FTOXD3 SIGFTOXD3 ANAU20 SIGANAU20 FAU20 SIGFAU20 FMM11 SIGFMM11 FI100 SIGFI100
* Column Types :
H H H F Q D Q F Q F Q F Q
* Associated datasets :
1 1 1 1 1 2 2 2 2 3 3 4 4
* Cell Dimensions : (obsolete - use crystal cells)
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
* Resolution Range :
0.00074 0.18900 ( 36.791 - 2.300 A )
* Sort Order :
1 2 3 0 0
* Space group = P212121 (number 19)
NA4TOMTZ: Normal termination of NA4TOMTZ
Times: User: 0.3s System: 0.0s Elapsed: 0:00