| 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 | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS-II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 17-ID-2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2021-06-30 |
Detector _diffrn_detector.type | DECTRIS EIGER X 16M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.479 |
| Software | |
Data reduction _software.classification | DIALS (v1-1545) |
Data scaling _software.classification | Aimless (0.5.17) |
Phasing _software.classification | PHASER (2.5.7) |
Model building _software.classification | BUCCANEER |
Refinement _software.classification | PHENIX (1.18.2-3874) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 57.642 57.642 150.233 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.47900 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 39.340 | 2.530 |
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 | 16225 | 372 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 20.00 | - |
Completeness [%] _reflns.percent_possible_obs | 97.1 | - |
Multiplicity _reflns.pdbx_redundancy | 183.6 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.979 | 0.065 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8ENA |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-09-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.3 - 2.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1854 / 0.2336 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |