| 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 | 2016-02-03 |
Detector _diffrn_detector.type | TVIPS F416 CMOS CAMERA |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.0251 |
| Software | |
Data collection _software.classification | DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com) |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com) |
Refinement _software.classification | REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 21.48 4.95 23.87 90.00 103.95 90.00 |
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 | 90.000 | 90.000 | 1.080 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.000 | 1.710 | 1.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.211 | 0.154 | 0.362 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 13199 | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 2712 | 597 | 460 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.10 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 85.8 | 85.8 | 79.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.9 | 5.3 | 3.0 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5K2E |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-05-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 23.2 - 1.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1523 / 0.1943 |