| 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 | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 298 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-08-15 |
Detector _diffrn_detector.type | SDMS |
| Software | |
Data reduction _software.classification | SDMS |
Data scaling _software.classification | SDMS |
Phasing #1 _software.classification | FRFSUM (WOLFGANG KABSCH) |
Phasing #2 _software.classification | UNPUBLISHED (PROGRAMS BY SJR) |
Model building #1 _software.classification | FRFSUM (WOLFGANG KABSCH) |
Model building #2 _software.classification | UNPUBLISHED (PROGRAMS BY SJR) |
Refinement _software.classification | TNT (5F-6) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 91.9 119.0 109.3 90.0 103.4 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.370 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.068 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 69682 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 74.0 |
Multiplicity _reflns.pdbx_redundancy | 2.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BU6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-08-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 2.370 Å |
Rwork _refine.ls_R_factor_R_work | 0.1670 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1GLF |