| Experiment | |
|---|---|
Method _exptl.method | ELECTRON CRYSTALLOGRAPHY |
Source type _diffrn_source.source | ELECTRON MICROSCOPE |
Source details _diffrn_source.type | TALOS ARCTICA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS CAMERA |
Collection date _diffrn_detector.pdbx_collection_date | 2018-04-13 |
Detector _diffrn_detector.type | CETA 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.0251 |
| Software | |
Data reduction _software.classification | XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de) |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Phasing _software.classification | SHELXDE |
Refinement _software.classification | PHENIX (Paul D. Adams; PDAdams@lbl.gov) |
| 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} | 29.20 4.87 32.44 90.0 101.9 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 | 5.955 | 5.955 | 1.100 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.050 | 5.000 | 1.050 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.197 | 0.076 | 0.494 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.105 | 0.589 |
Rpim _reflns.pdbx_Rpim_I_all | 0.224 | - | - |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs | 16529 | 22 | 974 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 3946 | 10 | 315 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 3.76 | 5.92 | 1.40 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 82.7 | 17.2 | 53.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.2 | 2.2 | 3.1 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.984 | 0.989 | 0.779 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6NB9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-12-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 1.050 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1976 / 0.2458 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |