| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | FREE ELECTRON LASER |
Source details _diffrn_source.type | SACLA BEAMLINE BL3 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SACLA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL3 |
Temperature [K] _diffrn.ambient_temp | 277 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-06-20 |
Detector _diffrn_detector.type | RAYONIX MX225HE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.24020 |
| Software | |
Data processing _software.classification | cctbx.xfel |
Data scaling _software.classification | cctbx.prime |
Phasing _software.classification | REFMAC (5.8.0048) |
Refinement _software.classification | REFMAC (5.8.0048) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 185.849 209.485 179.524 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.24020 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 14.990 |
High resolution limit [Å] _reflns.d_resolution_high | 2.400 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.162 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 266141 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.28 |
Completeness [%] _reflns.percent_possible_obs | 98.2 |
Multiplicity _reflns.pdbx_redundancy | 63.2 |
CC(1/2) _reflns.pdbx_CC_half | 0.958 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5X1B |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-01-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 2.400 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1819 / 0.2296 |