| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Collection date _diffrn_detector.pdbx_collection_date | 2020-10-01 |
| 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+SVN; 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} | 68.34 68.34 105.12 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 | 20.000 | 2.150 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.100 | 2.100 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.299 | 1.210 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.357 | 1.441 |
Rpim _reflns.pdbx_Rpim_I_all | 0.144 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 71235 | 5348 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs | 3.61 | 1.02 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 82.5 | 83.3 |
Multiplicity _reflns.pdbx_redundancy | 3.1 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.964 | 0.347 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7SWA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2021-11-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 28.4 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1985 / 0.2446 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 6CL7 |