| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Collection date _diffrn_detector.pdbx_collection_date | 2020-11-14 |
| Software | |
Data reduction _software.classification | XDS (Feb 5, 2021) |
Data scaling _software.classification | XSCALE (Feb 5, 2021) |
Phasing _software.classification | PHASER (2.8.3) |
Refinement _software.classification | PHENIX (1.18.2_3874; Paul D. Adams; pdadams@lbl.gov) |
| 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} | 67.91 67.91 102.52 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 40.910 | 2.000 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.950 | 1.950 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.277 | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.309 | 1.514 |
Rpim _reflns.pdbx_Rpim_I_all | 0.133 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 88107 | 6241 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 4.25 | 0.90 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 91.1 | 92.7 |
Multiplicity _reflns.pdbx_redundancy | 5.3 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.976 | 0.411 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7SW6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-11-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.5 - 1.950 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1886 / 0.2385 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6CL7 |