| 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 MICROMAX-007 HF |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2012-01-31 |
Detector _diffrn_detector.type | RIGAKU SATURN 944 |
| Software | |
Data reduction _software.classification | xia2 |
Data scaling _software.classification | xia2 |
Phasing _software.classification | PHASER (FOR MR) |
Refinement _software.classification | REFMAC (5.6.0119) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 50.48 65.09 189.65 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 190.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.210 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.030 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 32159 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 43.90 |
Completeness [%] _reflns.percent_possible_obs | 99.2 |
Multiplicity _reflns.pdbx_redundancy | 10.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4AP4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2012-03-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 94.8 - 2.210 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2075 / 0.2417 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRIES 2YH0 1UBQ 2XEU |