| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Photon Factory |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL-6A |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-11-20 |
Detector _diffrn_detector.type | FUJI |
| Software | |
Data reduction _software.classification | WEIS |
Data scaling _software.classification | WEIS |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | PROLSQ |
| 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} | 63.15 83.59 53.80 90.00 99.34 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.04000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 100.000 | 1.810 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.200 | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.078 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 112877 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 60.2 | 76.7 |
Multiplicity _reflns.pdbx_redundancy | 2.6 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1QSI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-06-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.700 Å |
R _refine.ls_R_factor_obs | 0.1860 |
Rwork _refine.ls_R_factor_R_work | 0.1860 WARNING: no Rfree given? |