| 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 | APS BEAMLINE 24-ID-C |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 24-ID-C |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-07-17 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M-F |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.892 |
| Software | |
Data reduction _software.classification | DIALS (3.1.4) |
Data scaling _software.classification | Aimless (0.7.4) |
Phasing _software.classification | AutoSol (1.18.2_3874) |
Model building _software.classification | PHENIX (1.18.2_3874) |
Refinement _software.classification | PHENIX (1.18.2_3874) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 79.344 79.344 37.810 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.89200 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 56.100 | 1.770 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.102 | 0.189 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.103 | 0.208 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.015 | 0.084 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 22855 | 767 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 35.63 | 6.70 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 90.7 | 30.4 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 35.7 | 5.9 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.968 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7L84 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-12-30 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 56.1 - 1.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1396 / 0.1621 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |