| 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 | APS BEAMLINE 23-ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 23-ID-B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-10-12 |
Detector _diffrn_detector.type | MARMOSAIC 300 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.37716 |
| Software | |
Data reduction _software.classification | HKL-2000 (2.3.10) |
Data scaling _software.classification | HKL-2000 (2.3.10) |
Phasing _software.classification | PHENIX (1.8.3_1479) |
Refinement _software.classification | PHENIX (1.8.3_1479) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 32 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 83.255 83.255 70.963 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.37716 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 1.970 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 1.900 |
| Rmerge | - | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.082 | 0.873 |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.015 | 0.269 |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 22042 | 1839 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 37.16 | 2.85 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 97.2 | 82.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 27.5 | 10.0 |
CC(1/2) _reflns_shell.pdbx_CC_half | - | 0.820 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6CPD |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-03-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 35.9 - 1.903 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1719 / 0.2089 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |