| 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 RU300 |
Temperature [K] _diffrn.ambient_temp | 277 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-12-18 |
Detector _diffrn_detector.type | RIGAKU RAXIS |
| Software | |
Phasing _software.classification | SHELXS |
Refinement _software.classification | SHELXL-97 |
| 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} | 55.103 55.199 37.243 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.71070 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 55.000 | 0.970 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.920 | 0.920 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.057 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 59541 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.64 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.9 | 58.3 |
| Multiplicity | - | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C7K |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2000-02-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 55.0 - 1.000 Å |
R _refine.ls_R_factor_obs | 0.1480 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.1780 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO |