| 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 | DIAMOND BEAMLINE I02 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I02 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2013-09-17 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.252 |
| Software | |
Data reduction _software.classification | iMOSFLM |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Refinement _software.classification | REFMAC (5.8.0189) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 180.50 180.50 210.06 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.25200 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 91.000 | 5.590 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 5.000 | 5.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.202 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.247 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.138 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 15525 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.60 | - |
Completeness [%] _reflns.percent_possible_obs | 99.6 | - |
Multiplicity _reflns.pdbx_redundancy | 4.8 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.942 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QH6 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-01-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 91.0 - 5.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2591 / 0.2852 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |