| 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 P14 (MX2) |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PETRA III, EMBL c/o DESY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | P14 (MX2) |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2022-11-11 |
Detector _diffrn_detector.type | DECTRIS EIGER2 XE CdTe 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.6888 |
| Software | |
Data reduction _software.classification | XDS (v10 Jan 2022 BUILT= 0220220) |
Data scaling _software.classification | XSCALE (v10 Jan 2022 BUILT= 0220220) |
Phasing _software.classification | PHENIX (v1.20.1-4487) |
Refinement _software.classification | PHENIX (v1.20.1-4487) |
| 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} | 79.44 82.71 106.14 80.89 68.34 69.99 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.68880 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 77.670 | 77.670 | 2.150 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.100 | 9.390 | 2.100 |
Rmerge _reflns_shell.Rmerge_I_obs | - | - | 1.000 |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.152 | 0.038 | 1.411 |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 126234 | 1396 | 9325 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.66 | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 91.6 | - | 91.4 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.8 | - | 3.8 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.996 | 0.998 | 0.446 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8CIP |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2023-02-10 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.3 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1679 / 0.2281 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |