| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU300 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | CHESS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | A1 |
Temperature [K] _diffrn.ambient_temp | 100.00 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-05-01 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Refinement _software.classification | SHELXL-97 |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 27.1 27.1 31.6 69.2 77.5 63.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.060 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 17465 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 95.0 |
Multiplicity _reflns.pdbx_redundancy | 4.8 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 397D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-04-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 1.300 Å |
R _refine.ls_R_factor_obs | 0.1260 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.1770 |