| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Collection date _diffrn_detector.pdbx_collection_date | 2017-11-27 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Phasing _software.classification | SHELXD |
Refinement _software.classification | PHENIX (1.12_2829; Paul D. Adams; PDAdams@lbl.gov) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21/c 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 14.03 9.22 20.77 90.00 104.48 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 7.629 | 7.629 | 0.920 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.900 | 4.030 | 0.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.128 | 0.065 | 0.332 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.151 | 0.079 | 0.387 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 9884 | 82 | 728 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 2906 | 29 | 230 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 5.46 | 10.13 | 2.52 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 77.6 | 69.0 | 79.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.4 | 2.8 | 3.2 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.991 | 0.994 | 0.962 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6M9J |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-08-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 7.6 - 0.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2325 / 0.2518 |