| 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 | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SPring-8 |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL26B2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-06-10 |
Detector _diffrn_detector.type | MARMOSAIC 225 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.000 |
| Software | |
Data reduction _software.classification | XDS (VERSION May 1, 2016) |
Data scaling _software.classification | XDS (VERSION May 1, 2016) |
Phasing _software.classification | PHASER (2.6.0) |
Refinement _software.classification | PHENIX (1.10.1_2155: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 2 2 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 211.988 223.488 319.869 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 49.490 |
High resolution limit [Å] _reflns.d_resolution_high | 7.399 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.294 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 10397 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.94 |
Completeness [%] _reflns.percent_possible_obs | 99.4 |
Multiplicity _reflns.pdbx_redundancy | 10.7 |
CC(1/2) _reflns.pdbx_CC_half | 0.978 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5GUG |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-08-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 49.5 - 7.399 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3563 / 0.4159 |