| 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 | 2016-05-13 |
Detector _diffrn_detector.type | MPCCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.7714 |
| Software | |
Data collection _software.classification | Cheetah |
Data processing _software.classification | CrystFEL (0.6.1) |
Data reduction _software.classification | CrystFEL (0.6.1) |
Data scaling _software.classification | CrystFEL (0.6.1) |
Phasing _software.classification | MOLREP (11.0.05) |
Model building _software.classification | Coot (0.8.9) |
Refinement _software.classification | REFMAC (5.8.0238) |
| 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} | 144.62 185.80 162.89 90.00 99.61 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.77140 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 46.800 | 2.590 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.500 | 2.500 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 292114 | 29113 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 3.64 | 1.11 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 234.0 | 165.2 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.938 | 0.493 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7C8H |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-06-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 46.8 - 2.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1613 / 0.2176 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 3AI7 |