| 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 | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-02-05 |
Detector _diffrn_detector.type | MPCCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.63 |
| Software | |
Data reduction _software.classification | CrystFEL (0.6.2) |
Data scaling _software.classification | CrystFEL (0.6.2) |
Refinement _software.classification | PHENIX (1.10_2155) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 63 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 62.5 62.5 112.0 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.63000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 38.920 |
High resolution limit [Å] _reflns.d_resolution_high | 2.100 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 14513 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.67 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 255.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.987 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5H2L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-10-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 21.9 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1592 / 0.1793 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 5B6V |