| 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 | SRS BEAMLINE PX9.6 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SRS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PX9.6 |
Temperature [K] _diffrn.ambient_temp | 298.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-02-27 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction _software.classification | MOSFLM |
Data scaling #1 _software.classification | CCP4 (AGROVATA |
Data scaling #2 _software.classification | ROTAVATA |
Phasing _software.classification | MLPHARE |
Refinement _software.classification | TNT |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 42 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 91.93 91.93 152.77 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.87000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 | 2.560 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.500 | 2.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.050 | 0.439 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 21252 | 1198 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 13.20 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 91.5 | 71.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.9 | 2.2 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1DQU |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2000-01-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2730 / 0.3760 |