| 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 | ESRF BEAMLINE ID29 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID29 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2014-04-28 |
Detector _diffrn_detector.type | DECTRIS PILATUS 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.7236 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Phasing _software.classification | autoSHARP |
Model building #1 _software.classification | BUCCANEER |
Model building #2 _software.classification | Coot |
Refinement #1 _software.classification | PHENIX (dev_2276: ???) |
Refinement #2 _software.classification | BUSTER-TNT |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 159.753 159.753 393.086 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.72360 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 113.130 |
High resolution limit [Å] _reflns.d_resolution_high | 2.750 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.101 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 50199 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.90 |
Completeness [%] _reflns.percent_possible_obs | 99.0 |
Multiplicity _reflns.pdbx_redundancy | 7.5 |
CC(1/2) _reflns.pdbx_CC_half | 0.990 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5LO9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-08-08 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 113.1 - 2.750 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1567 / 0.1984 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |