| 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 | BRUKER AXS MICROSTAR |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2014-03-19 |
Detector _diffrn_detector.type | Bruker Platinum 135 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54 |
| Software | |
Data processing _software.classification | PHASER (2.5.6) |
Data reduction _software.classification | PHENIX |
Data scaling _software.classification | SAINT (V8.30C) |
Refinement _software.classification | PHENIX (phenix.refine: 1.9_1692) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.782 94.802 60.817 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 47.400 | 47.400 | 2.276 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.198 | 4.734 | 2.198 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.125 | 0.102 | 0.287 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 134367 | - | - |
Total number unique _reflns.number_obs | 11160 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 25.27 | - | - |
Completeness [%] _reflns.percent_possible_obs | 98.8 | - | - |
Multiplicity _reflns.pdbx_redundancy | 12.0 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5BOC |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-05-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 47.4 - 2.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1962 / 0.2396 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4EM7 |