| 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 | APS BEAMLINE 21-ID-G |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-G |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-10-25 |
Detector _diffrn_detector.type | RAYONIX MX-300 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97857 |
| Software | |
Data reduction _software.classification | xia2 |
Data scaling _software.classification | xia2 |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 101.98 50.85 105.34 90.00 90.13 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97857 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 24.883 | 1.170 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.130 | 1.130 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.077 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.084 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.034 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 191300 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.99 | - |
Completeness [%] _reflns.percent_possible_obs | 94.9 | - |
Multiplicity _reflns.pdbx_redundancy | 4.6 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.997 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6D7A |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-04-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 24.9 - 1.130 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1407 / 0.1637 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |