| 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 | ESRF BEAMLINE BM02 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BM02 |
Temperature [K] _diffrn.ambient_temp | 277.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1996-02-28 |
Detector _diffrn_detector.type | THOMSON/PRINCETON |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9828 |
| Software | |
Data reduction #1 _software.classification | ROTAVATA |
Data reduction #2 _software.classification | XDS |
Data scaling #1 _software.classification | XDS |
Data scaling #2 _software.classification | CCP4 (AGROVATA |
Data scaling #3 _software.classification | ROTAVATA |
Phasing _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement _software.classification | X-PLOR (3.843) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 71.01 139.96 115.89 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98280 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 44.700 |
High resolution limit [Å] _reflns.d_resolution_high | 1.740 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.056 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 45586 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.70 |
Completeness [%] _reflns.percent_possible_obs | 77.0 |
Multiplicity _reflns.pdbx_redundancy | 2.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1G94 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2000-11-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 44.7 - 1.740 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1560 / 0.1870 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | PDB ENTRY 1AQH |