| Experiment | |
|---|---|
Method _exptl.method | NEUTRON DIFFRACTION |
Source type _diffrn_source.source | NUCLEAR REACTOR |
Source details _diffrn_source.type | ILL BEAMLINE LADI III |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ILL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | LADI III |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2010-07-07 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 3.7 |
| Software | |
Data reduction _software.classification | LAUEGEN |
Data scaling _software.classification | LAUEGEN |
Refinement _software.classification | PHENIX (PHENIX.REFINE) |
| 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} | 72.956 72.956 98.526 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 3.70000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 63.150 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.180 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 14991 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 83.7 |
Multiplicity _reflns.pdbx_redundancy | 7.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2XQZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-09-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 53.2 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2246 / 0.2586 |