| 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 | SSRF BEAMLINE BL17U1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL17U1 |
Temperature [K] _diffrn.ambient_temp | 80 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2016-06-27 |
Detector _diffrn_detector.type | DECTRIS PILATUS3 S 6M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9791 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | SHELXD |
Model building #1 _software.classification | SHELXT |
Model building #2 _software.classification | SHELXL |
Refinement _software.classification | PHENIX (1.10_2155) |
| 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} | 11.957 10.141 21.372 90.00 100.11 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97910 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 11.771 | 11.774 | 0.980 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.950 | 4.250 | 0.950 |
Rmerge _reflns_shell.Rmerge_I_obs | - | 0.054 | 0.179 |
Rmeas _reflns_shell.pdbx_Rrim_I_all | - | 0.064 | 0.218 |
| Rpim | - | - | - |
| Total number of observations | - | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 5179 | 55 | 178 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 13.59 | 19.24 | 6.64 |
Completeness [%] _reflns_shell.percent_possible_all | - | 78.6 | 36.2 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.3 | 3.1 | 3.0 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.997 | 0.962 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5ZGL |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-03-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 11.8 - 0.950 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.0998 / 0.1211 |