| 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 | SSRL BEAMLINE BL12-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL12-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2020-07-07 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.73816 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless (0.7.4) |
Phasing _software.classification | SOLVE |
Model building _software.classification | RESOLVE |
Refinement _software.classification | PHENIX (1.19.2-4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 40.846 54.613 71.464 90.00 102.19 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.73816 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 39.920 | 39.920 | 2.660 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.550 | 8.830 | 2.550 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.410 | 0.095 | 3.162 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.416 | 0.096 | 3.223 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.064 | 0.013 | 0.609 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 407151 | 12521 | 12083 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 8552 | 257 | 415 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 20.20 | 28.50 | 8.00 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 84.2 | 97.0 | 35.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 47.6 | 48.7 | 29.1 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.979 | 0.998 | 0.892 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7U2V |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-02-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.9 - 2.550 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1893 / 0.2431 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |