| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | SSRL BEAMLINE BL14-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL14-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2014-12-07 |
Detector _diffrn_detector.type | MARMOSAIC 325 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97947 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling #1 _software.classification | XDS (November 3, 2014 BUILT=20141118) |
Data scaling #2 _software.classification | XSCALE |
Phasing #1 _software.classification | SHELX |
Phasing #2 _software.classification | SHARP |
Phasing #3 _software.classification | SHELXD |
Refinement #1 _software.classification | BUSTER-TNT (2.10.2) |
Refinement #2 _software.classification | BUSTER (2.10.2) |
| 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} | 41.866 66.212 68.593 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97947 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 26.531 | 26.531 | 1.860 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.800 | 3.870 | 1.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.062 | 0.026 | 0.649 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.078 | 0.033 | 0.821 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 87402 | 8765 | 7957 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 18276 | 3361 | 3161 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.04 | 31.30 | 1.50 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.0 | 97.4 | 98.3 |
Multiplicity _reflns.pdbx_redundancy | 2.6 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4YOK |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-03-11 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 26.5 - 1.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1733 / 0.2141 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |