| 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 | DIAMOND BEAMLINE I03 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I03 |
Temperature [K] _diffrn.ambient_temp | 81 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2015-02-09 |
Detector _diffrn_detector.type | ADSC QUANTUM 4r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.823 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | pointless |
Phasing _software.classification | CRANK2 |
Refinement _software.classification | REFMAC (5.8.0258) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 104.27 104.27 88.44 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.82300 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 67.540 | 1.875 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.810 | 1.810 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.125 | 0.863 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 44277 | 3879 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 29.00 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.5 | 86.2 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 60.1 | 18.2 |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 1.000 | 0.600 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6Y6G |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-02-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 67.5 - 1.810 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1630 / 0.1956 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |