| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1993-08 |
Detector _diffrn_detector.type | XUONG-HAMLIN MULTIWIRE |
| Software | |
Data collection _software.classification | SAN (DIEGO MULTIWIRE) |
Data reduction _software.classification | SDMS (SOFTWARE) |
Data scaling _software.classification | SDMS |
Phasing _software.classification | X-PLOR (3.1) |
Model building _software.classification | X-PLOR (3.1) |
Refinement _software.classification | X-PLOR (3.1) |
| 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} | 54.84 58.49 67.83 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 | 7.000 | 1.720 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.800 | 1.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.110 | 0.350 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 28730 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.20 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.0 | 88.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 7.1 | 3.1 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BJU |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-06-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.0 - 1.800 Å |
R _refine.ls_R_factor_obs | 0.1710 |
Rwork _refine.ls_R_factor_R_work | 0.1710 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |
Starting model _refine.pdbx_starting_model | 3PTB |