| 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 | 298 |
Detector technology _diffrn_detector.detector | FLAT PANEL |
Collection date _diffrn_detector.pdbx_collection_date | 2013-03-16 |
Detector _diffrn_detector.type | Cornell-SLAC Pixel Array Detector (CSPAD) |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.456 |
| Software | |
Data collection _software.classification | DIALS |
Data reduction #1 _software.classification | cctbx.xfel |
Data reduction #2 _software.classification | DIALS |
Data scaling _software.classification | DIALS |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (phenix.refine: dev_1737) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 3 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 106.1 106.1 106.1 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.45600 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 28.300 |
High resolution limit [Å] _reflns.d_resolution_high | 1.750 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 20122 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 100.0 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4S1L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2015-01-14 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 28.3 - 1.752 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1221 / 0.1543 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |