| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Temperature [K] _diffrn.ambient_temp | 293.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-01-13 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction #1 _software.classification | AUTOMAR |
Data reduction #2 _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement #1 _software.classification | X-PLOR |
Refinement #2 _software.classification | REFMAC |
| 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} | 78.00 53.90 47.26 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 23.620 | 1.700 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.630 | 1.630 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.088 | 0.400 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 21149 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 19.96 | 2.77 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 83.2 | 80.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.8 | 3.2 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1QQU |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-06-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.630 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1930 / 0.2550 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLCEMENT |
Starting model _refine.pdbx_starting_model | 1AKS |