| 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 | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-11-08 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97718 |
| Software | |
Data reduction _software.classification | XDS (Oct 15, 2015) |
Data scaling _software.classification | XDS (Oct 15, 2015) |
Phasing _software.classification | PHASER (2.5.7) |
Refinement _software.classification | BUSTER (2.10.2) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 109.58 109.58 209.71 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97718 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 26.920 | 2.720 |
High resolution limit [Å] _reflns_shell.d_res_high | - | 2.600 |
| - | - | |
Rmerge _reflns_shell.Rmerge_I_obs | - | 3.600 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
| Total number unique | - | - |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 1.40 |
Completeness [%] _reflns_shell.percent_possible_all | - | 99.7 |
Multiplicity _reflns_shell.pdbx_redundancy | - | 45.5 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5HVD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-01-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 26.9 - 2.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1925 / 0.2139 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3rvy |