| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ALS BEAMLINE 8.3.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.3.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2020-08-06 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 S 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.11583 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | PHASER |
Refinement #1 _software.classification | Coot (1.18.2_3874) |
Refinement #2 _software.classification | PHENIX (1.18.2_3874) |
| 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} | 38.58 86.03 107.89 90.000 96.907 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.11583 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 107.110 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.101 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.123 |
Rpim _reflns.pdbx_Rpim_I_all | 0.071 |
| Total number of observations | - |
Total number unique _reflns.number_obs | 46166 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.02 |
Completeness [%] _reflns.percent_possible_obs | 95.0 |
Multiplicity _reflns.pdbx_redundancy | 2.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 7KET |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-10-12 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 107.1 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2340 / 0.2814 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | homology model constructed from human Fab; FHbp ID 1 (3KVD) |