| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RUH3R |
Temperature [K] _diffrn.ambient_temp | 113 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-09-07 |
Detector _diffrn_detector.type | RIGAKU |
| Software | |
Data collection _software.classification | PROCESS |
Data reduction _software.classification | PROCESS |
Data scaling _software.classification | PROCESS |
Phasing #1 _software.classification | PHASES |
Phasing #2 _software.classification | X-PLOR (3.851) |
Model building _software.classification | X-PLOR (3.851) |
Refinement _software.classification | X-PLOR (3.851) |
| 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} | 62.8 62.8 128.4 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 64.200 | 2.250 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.030 | 2.020 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.087 | 0.216 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 14339 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.65 | 2.81 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.8 | 55.0 |
Multiplicity _reflns.pdbx_redundancy | 7.2 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2AE1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.300 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2050 / 0.3060 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIRAS |