| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | LURE BEAMLINE DW32 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | LURE |
Beamline _diffrn_source.pdbx_synchrotron_beamline | DW32 |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1993-02-01 |
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 | X-PLOR (2.1) |
Model building _software.classification | X-PLOR (2.1) |
Refinement _software.classification | X-PLOR (2.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | F 4 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 182.9 182.9 182.9 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.90100 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.960 |
High resolution limit [Å] _reflns.d_resolution_high | 2.260 |
Rmerge _reflns.pdbx_Rsym_value | 0.110 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 12699 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.50 |
Completeness [%] _reflns.percent_possible_obs | 99.3 |
Multiplicity _reflns.pdbx_redundancy | 7.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1IER |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1996-05-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.260 Å |
R _refine.ls_R_factor_obs | 0.1870 |
Rwork _refine.ls_R_factor_R_work | 0.1870 WARNING: no Rfree given? |