| 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 | LNLS BEAMLINE W01B-MX2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | LNLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | W01B-MX2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2012-10-23 |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.458550 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (dev_3139) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 81.790 100.430 168.274 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.45855 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.992 |
High resolution limit [Å] _reflns.d_resolution_high | 1.950 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 99662 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.02 |
Completeness [%] _reflns.percent_possible_obs | 98.1 |
Multiplicity _reflns.pdbx_redundancy | 12.2 |
CC(1/2) _reflns.pdbx_CC_half | 0.997 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7KN8 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-11-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 1.950 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2163 / 0.2515 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2CN2 |