| 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 | ESRF BEAMLINE BM30A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BM30A |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2012-05-18 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9796 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER (2.8.2) |
Refinement _software.classification | PHENIX (V.1.14-3260) |
| 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} | 70.25 82.82 104.68 90.00 91.97 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97960 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 48.190 |
High resolution limit [Å] _reflns.d_resolution_high | 1.440 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.065 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.070 |
| Rpim | - |
Total number of observations _reflns.pdbx_number_measured_all | 1462858 |
Total number unique _reflns.number_obs | 216633 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 19.06 |
Completeness [%] _reflns.percent_possible_obs | 99.1 |
Multiplicity _reflns.pdbx_redundancy | 6.8 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6R2J |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-03-18 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 48.2 - 1.440 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1790 / 0.2240 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4LX4 |