| 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-F |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 21-ID-F |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-12-06 |
Detector _diffrn_detector.type | RAYONIX MX-300 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9787 |
| Software | |
Data reduction _software.classification | XDS (VERSION Jun 1, 2017 BUILT=20170923) |
Data scaling _software.classification | XDS (VERSION Jun 1, 2017 BUILT=20170923) |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.15.2_3472) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 66.348 94.624 116.573 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97870 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 39.742 | 39.742 | 2.139 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.051 | 6.423 | 2.051 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.194 | 0.047 | 1.861 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.207 | 0.051 | 1.988 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.018 | 0.683 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 146211 | 6275 | 6672 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 16840 | 841 | 842 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 9.29 | 30.75 | 1.18 |
Completeness [%] _reflns.percent_possible_obs | 72.0 | - | - |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 8.7 | 7.5 | 7.9 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.996 | 0.997 | 0.302 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6P9V |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-06-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.7 - 2.051 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1726 / 0.2029 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 2P02 |