| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ESRF BEAMLINE BM14 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BM14 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-09 |
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 #1 _software.classification | MLPHARE |
Phasing #2 _software.classification | DM |
Phasing #3 _software.classification | VECSUM |
Model building #1 _software.classification | DM |
Model building #2 _software.classification | VECSUM |
Refinement _software.classification | RESTRAIN |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 102.5 102.5 168.3 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97913 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 35.600 | 2.380 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.300 | 2.300 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.088 | 0.178 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 459575 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 6.60 | 3.90 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.9 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 16.8 | 9.3 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AW5 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 2.300 Å |
R _refine.ls_R_factor_obs | 0.1980 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.2700 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |