| Experiment | |
|---|---|
Method _exptl.method | NEUTRON DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | NUCLEAR REACTOR |
Source details _diffrn_source.type | JRR-3M BEAMLINE 1G-A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | JRR-3M |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 1G-A |
Temperature [K] _diffrn.ambient_temp | 279 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2003-05-17 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.60 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | CNS |
Refinement _software.classification | CNS (1.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 32.9 32.9 96.1 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.60000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.233 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 896 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 5.80 |
Completeness [%] _reflns.percent_possible_obs | 63.1 |
Multiplicity _reflns.pdbx_redundancy | 1.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1WQZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-10-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 3.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2520 / 0.2740 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1WQY |