| 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 | PAL-XFEL BEAMLINE NCI |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | PAL-XFEL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | NCI |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2019-11-28 |
Detector _diffrn_detector.type | RAYONIX MX-225 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.2782 |
| Software | |
Data reduction _software.classification | CrystFEL (V0.9.1) |
Data scaling _software.classification | CrystFEL (V0.9.1) |
Phasing _software.classification | PHENIX (V1.18.2_3874) |
Refinement _software.classification | PHENIX (1.18.2_3874: ???) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.86 78.86 37.85 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.27820 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 27.880 | 1.680 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.650 | 1.650 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 27496 | 2754 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.84 | - |
Completeness [%] _reflns.percent_possible_obs | 100.0 | - |
Multiplicity _reflns.pdbx_redundancy | 298.9 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7D01 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-09-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.9 - 1.650 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1821 / 0.2027 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1VDS |