| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Source type _diffrn_source.source | ELECTRON MICROSCOPE |
Source details _diffrn_source.type | TECNAI F20 TEM |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2016-08-26 |
Detector _diffrn_detector.type | TVIPS F416 CMOS CAMERA |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.0251 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Refinement _software.classification | REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 42.77 17.42 4.90 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.02510 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 21.390 | 21.390 | 1.030 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.000 | 4.490 | 1.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.283 | 0.108 | 0.993 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.299 | 0.114 | 1.085 |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 18942 | 220 | 529 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 2004 | 26 | 110 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 4.64 | 12.27 | 1.07 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 88.7 | 74.3 | 78.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 9.5 | 8.5 | 4.8 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.992 | - | 0.527 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5WKB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-07-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 21.4 - 1.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2201 / 0.2697 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |