| 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 | SSRF BEAMLINE BL17U1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL17U1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-10-04 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97931 |
| Software | |
Data reduction _software.classification | XDS (Jan 26, 2018, built on 20180409) |
Data scaling _software.classification | Aimless (version 0.5.29) |
Phasing _software.classification | PHASER (2.7.17) |
Refinement _software.classification | BUSTER (2.10.2) |
| 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} | 103.270 103.458 125.768 77.40 84.81 61.43 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97931 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 122.723 |
High resolution limit [Å] _reflns.d_resolution_high | 2.269 |
Rmerge _reflns.pdbx_Rsym_value | 0.054 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.076 |
Rpim _reflns.pdbx_Rpim_I_all | 0.054 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 200394 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.30 |
Completeness [%] _reflns.percent_possible_obs | 97.1 |
Multiplicity _reflns.pdbx_redundancy | 2.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.990 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6K7Q |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-06-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 89.0 - 2.270 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2180 / 0.2360 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1HVY |