| 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 ID30B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID30B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2017-04-20 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.00904 |
| Software | |
Data reduction _software.classification | XDS (VERSION Nov 1, 2016) |
Data scaling _software.classification | Aimless (0.5.28) |
Phasing _software.classification | SHELXDE (2013/2) |
Refinement _software.classification | PHENIX (1.8.2) |
| 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} | 35.933 91.901 104.193 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00904 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 45.950 | 45.950 | 3.350 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.140 | 8.870 | 3.140 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.147 | 0.072 | 1.111 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.149 | 0.073 | 1.128 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.022 | 0.011 | 0.181 |
Total number of observations _reflns.pdbx_number_measured_all | 305959 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 6505 | 340 | 1132 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 21.40 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.5 | 99.6 | 97.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 47.0 | 38.5 | 37.6 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 1.000 | 1.000 | 0.816 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6GBR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-04-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.6 - 3.150 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2070 / 0.3113 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |