| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2002-08-19 |
Detector _diffrn_detector.type | RIGAKU RAXIS IIC |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | CNS |
Refinement _software.classification | CNS (1.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 70.628 169.843 95.998 90.00 92.75 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.800 |
Rmerge _reflns.pdbx_Rsym_value | 0.070 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 617721 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 2655.80 |
Completeness [%] _reflns.percent_possible_obs | 89.1 |
Multiplicity _reflns.pdbx_redundancy | 1.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1PWE |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2003-07-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 23.5 - 2.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2180 / 0.2470 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIR |