| 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 | SLAC LCLS BEAMLINE CXI |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLAC LCLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | CXI |
Temperature [K] _diffrn.ambient_temp | 300 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-09-09 |
Detector _diffrn_detector.type | CS-PAD CXI-1 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.3 |
| Software | |
Data reduction _software.classification | CrystFEL |
Data scaling _software.classification | CrystFEL |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.12_2829: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.70 96.03 113.06 90.00 109.87 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.30000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.524 |
High resolution limit [Å] _reflns.d_resolution_high | 2.150 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 76395 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.10 |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 894.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6B68 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-10-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.5 - 2.150 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2044 / 0.2394 |