| 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 RUH3R |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1998-05-15 |
Detector _diffrn_detector.type | RIGAKU RAXIS IV |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | X-PLOR |
Model building #1 _software.classification | X-PLOR |
Model building #2 _software.classification | ARP |
Model building #3 _software.classification | O |
Refinement #1 _software.classification | CNS (0.4) |
Refinement #2 _software.classification | OOPS |
| 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} | 45.696 49.288 51.694 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.065 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 7941 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 17.80 |
Completeness [%] _reflns.percent_possible_obs | 94.2 |
Multiplicity _reflns.pdbx_redundancy | 8.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C9H |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-08-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2050 / 0.2490 |