| 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 | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Australian Synchrotron |
Beamline _diffrn_source.pdbx_synchrotron_beamline | MX2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-12-03 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9537 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | SCALA (3.3.21) |
Phasing _software.classification | PHASER |
Refinement _software.classification | BUSTER (2.10.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 64 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 174.998 174.998 170.869 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.95370 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 47.730 | 3.370 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.200 | 3.200 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 7.760 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.083 |
Rpim _reflns_shell.pdbx_Rpim_I_all | - | 0.011 |
Total number of observations _reflns_shell.number_measured_all | - | 227748 |
Total number unique _reflns_shell.number_unique_all | - | 3727 |
<I/σ(I)> _reflns_shell.pdbx_netI_over_sigmaI_obs | - | 1.80 |
Completeness [%] _reflns_shell.percent_possible_all | - | 100.0 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 61.1 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.638 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5L2K |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-08-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 47.7 - 3.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2180 / 0.2392 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5L2J, 4G8F |