| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Temperature [K] _diffrn.ambient_temp | 290 |
Detector technology _diffrn_detector.detector | DIFFRACTOMETER |
Collection date _diffrn_detector.pdbx_collection_date | 1983-05 |
Detector _diffrn_detector.type | PICKER FACS-1 |
| Software | |
Data reduction _software.classification | HANSON (ET AL) |
Data scaling #1 _software.classification | ANOSCL |
Data scaling #2 _software.classification | SCALE2 |
Data scaling #3 _software.classification | SCALE3 |
Phasing #1 _software.classification | PHASIT |
Phasing #2 _software.classification | ASCALC |
Model building #1 _software.classification | PHASIT |
Model building #2 _software.classification | ASCALC |
Refinement _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 32.118 52.103 31.174 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 25.000 | 2.500 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 2.000 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 3813 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 | 99.2 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.0 | 2.0 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C4D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-06-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 5.0 - 2.000 Å |
R _refine.ls_R_factor_obs | 0.2320 |
Rwork _refine.ls_R_factor_R_work | 0.2320 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | SINGLE WAVELENGTH ANOMALOUS SCATTERING FROM CESIUM |