| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | LAUE |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | APS BEAMLINE 14-ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14-ID-B |
Temperature [K] _diffrn.ambient_temp | 283.15 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2020-03-21 |
Detector _diffrn_detector.type | RAYONIX MX340-HS |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.02-1.15 |
| Software | |
Data reduction #1 _software.classification | Precognition |
Data reduction #2 _software.classification | Epinorm |
Data scaling _software.classification | Precognition |
Phasing _software.classification | PHENIX |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 68.816 68.816 90.365 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.020001.15000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 100.000 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.078 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 10640 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 42.67 |
Completeness [%] _reflns.percent_possible_obs | 75.1 |
Multiplicity _reflns.pdbx_redundancy | 3.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8CU4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-05-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.6 - 2.010 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3430 / 0.3719 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 8CTN |