| 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 2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SOLEIL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PROXIMA 2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2015-12-17 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9801 |
| Software | |
Data reduction _software.classification | XDS (VERSION Oct 15, 2015) |
Phasing _software.classification | PHASER (2.5.7) |
Model building _software.classification | Coot (0.8.1) |
Refinement _software.classification | PHENIX (1.9_1692) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 1 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 51.726 51.726 370.028 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98010 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 55.000 | 2.440 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.298 | 2.298 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.110 | 0.747 |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 25284 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 14.23 | 1.60 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.0 | 83.8 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 8.4 | 4.2 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5J13 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-03-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 44.8 - 2.298 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1891 / 0.2150 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 4HK0, chain B; 4HIE, chain B |