| 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-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS-II |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 17-ID-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2018-03-29 |
Detector _diffrn_detector.type | DECTRIS EIGER X 9M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.92009 |
| Software | |
Data scaling _software.classification | XDS |
Phasing _software.classification | PHASER |
Model building _software.classification | Coot |
Refinement _software.classification | PHENIX (1.13_2998: ???) |
| 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} | 70.802 69.630 97.191 90.00 97.47 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.92009 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.170 | 2.293 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.213 | 2.213 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.100 | 0.844 |
| Rmeas | - | - |
| Rpim | - | - |
Total number of observations _reflns_shell.number_measured_obs | - | 10799 |
Total number unique _reflns.number_obs | 46644 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.70 | - |
Completeness [%] _reflns.percent_possible_obs | 99.3 | - |
Multiplicity _reflns.pdbx_redundancy | 3.7 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6DB7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-05-02 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.2 - 2.213 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2133 / 0.2602 |