| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | FREE ELECTRON LASER |
Source details _diffrn_source.type | SACLA BEAMLINE BL2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SACLA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL2 |
Temperature [K] _diffrn.ambient_temp | 293.15 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-10-12 |
Detector _diffrn_detector.type | DECTRIS MYTHEN2 R 1K |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9390 |
| Software | |
Data reduction _software.classification | HKL-3000 |
Data scaling _software.classification | HKL-3000 |
Phasing _software.classification | PHASER |
Refinement _software.classification | REFMAC (5) |
| 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} | 99.473 186.583 189.750 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.93900 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 50.000 | 3.150 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.100 | 8.400 | 3.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.115 | 0.082 | 0.589 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.126 | 0.090 | 0.645 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.051 | 0.037 | 0.261 |
Total number of observations _reflns.pdbx_number_measured_all | 442810 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 74294 | 3837 | 3645 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.20 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.5 | 96.8 | 99.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 6.0 | 5.5 | 5.9 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.990 | 0.884 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7EQI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-05-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 50.0 - 3.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2262 / 0.2560 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4xsa |