| 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 | AichiSR BEAMLINE BL2S1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | AichiSR |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL2S1 |
Temperature [K] _diffrn.ambient_temp | 95 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2017-06-21 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.12 |
| Software | |
Data reduction _software.classification | XDS (Mar 15, 2019) |
Data scaling _software.classification | XSCALE (Mar 15, 2019) |
Phasing _software.classification | MOLREP (11.5.02) |
Refinement _software.classification | PHENIX (1.18) |
| 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} | 57.21 91.06 115.02 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.12000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 48.620 | 48.620 | 1.180 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.150 | 5.140 | 1.150 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.066 | 0.039 | 0.893 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.071 | 0.041 | 1.010 |
| Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_obs | - | 27990 | 66057 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 208131 | 2617 | 14528 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 13.15 | 51.51 | 1.63 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.8 | 99.8 | 93.2 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 7.3 | 10.7 | 4.5 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.999 | 0.572 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7W50 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-11-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.6 - 1.150 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1418 / 0.1617 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 7W4Z |