| 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 | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 1 |
Temperature [K] _diffrn.ambient_temp | 273.15 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-07-10 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97620 |
| Software | |
Data collection _software.classification | autoPROC |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | PHASER |
Model building _software.classification | BUCCANEER |
Refinement _software.classification | PHENIX (1.13_2992: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 6 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 123.023 123.023 60.880 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97620 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 52.859 | 2.940 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.892 | 2.892 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.111 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.129 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.063 | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 11583 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.30 | - |
Completeness [%] _reflns.percent_possible_obs | 97.0 | - |
Multiplicity _reflns.pdbx_redundancy | 3.9 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.996 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6H7X |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-07-31 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 40.3 - 2.892 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2050 / 0.2373 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 2c9o |