| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | SIEMENS |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1991-04-15 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | X-GEN |
Data scaling _software.classification | X-GEN |
Phasing #1 _software.classification | PHASER |
Phasing #2 _software.classification | LOCHVAT (SEE REMARK) |
Phasing #3 _software.classification | CCP4 (REFINE |
Phasing #4 _software.classification | PHARE) |
Model building #1 _software.classification | LOCHVAT(SEE (REMARK)) |
Model building #2 _software.classification | CCP4 |
Refinement _software.classification | X-PLOR (2.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 48.4 48.4 111.5 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 44.500 | 2.440 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.300 | 2.300 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.669 | 0.204 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 5959 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 48.40 | 4.24 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.3 | 58.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 8.3 | 3.4 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BYL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-10-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.300 Å |
R _refine.ls_R_factor_obs | 0.1760 |
Rwork _refine.ls_R_factor_R_work | 0.1760 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MIRAS |