| Experiment | |
|---|---|
Method _exptl.method | NEUTRON DIFFRACTION |
Source type _diffrn_source.source | NUCLEAR REACTOR |
Source details _diffrn_source.type | FRM II BEAMLINE BIODIFF |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | FRM II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BIODIFF |
Collection date _diffrn_detector.pdbx_collection_date | 2012-08-08 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
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} | 73.429 73.429 99.112 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.40000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.150 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 19436 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 90.2 |
Multiplicity _reflns.pdbx_redundancy | 4.0 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4BD1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-10-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.002 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2195 / 0.2574 |