| 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 | 293 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-07-14 |
Detector _diffrn_detector.type | CS-PAD CXI-2 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.3 |
| Software | |
Data reduction _software.classification | CrystFEL |
Data scaling _software.classification | CrystFEL |
Phasing _software.classification | PHENIX |
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} | 39.89 179.15 141.20 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.30000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.200 | 1.760 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.700 | 1.700 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 56793 | 3138 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 2.93 | 0.44 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.7 | 53.6 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 23.3 | 3.0 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.970 | 0.110 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5NM4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2017-04-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.6 - 1.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2123 / 0.2354 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |