| 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 | ESRF BEAMLINE ID23-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-10-25 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97903 |
| Software | |
Data reduction _software.classification | XDS (Version June 1, 2017) |
Data scaling _software.classification | XSCALE (Version June 1, 2017) |
Phasing _software.classification | PHENIX (1.15) |
Refinement _software.classification | PHENIX (1.15) |
| 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} | 38.62 57.66 102.40 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97903 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 38.285 | 38.285 | 2.470 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.406 | 10.760 | 2.410 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.131 | 0.035 | 0.551 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.151 | 0.041 | 0.639 |
| Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_obs | - | 363 | 2232 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 8804 | 107 | 634 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 9.53 | 28.12 | 2.58 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 94.1 | 81.7 | 95.3 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.5 | 3.4 | 3.5 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.994 | 0.997 | 0.881 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6GOZ |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-06-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 38.3 - 2.406 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2015 / 0.2642 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |