| 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 | 298.0 |
Detector technology _diffrn_detector.detector | FILM |
Collection date _diffrn_detector.pdbx_collection_date | 1991-07-26 |
Detector _diffrn_detector.type | KODAK |
| Software | |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | ROTAVATA |
Phasing _software.classification | TNT |
Refinement _software.classification | TNT |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 60.9 60.9 96.5 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 10.000 | 1.900 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.850 | 1.850 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.046 | 0.258 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 11951 | 59 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.00 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 64.0 | 67.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.2 | 1.8 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1QSQ |
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 - 1.900 Å |
R _refine.ls_R_factor_obs | 0.1530 |
Rwork _refine.ls_R_factor_R_work | 0.1530 WARNING: no Rfree given? |