| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P13 (MX1) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2019-09-15 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9202 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | autoPROC |
Phasing _software.classification | Arcimboldo |
Refinement _software.classification | PHENIX (1.17.1_3660) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 46.108 47.380 50.270 113.549 90.285 91.185 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.92020 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 46.094 | 1.211 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.082 | 1.082 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.063 | 1.585 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.068 | 1.718 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.026 | 0.654 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 106454 | 5323 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.00 | - |
Completeness [%] _reflns.percent_possible_obs | 64.0 | - |
Multiplicity _reflns.pdbx_redundancy | 6.9 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.497 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6TEW |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-11-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 46.1 - 1.082 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1461 / 0.1687 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO PHASING |