| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | Agilent SuperNova |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2016-01-19 |
Detector _diffrn_detector.type | OXFORD ONYX CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.54 |
| Software | |
Data collection _software.classification | CrysalisPro |
Data scaling _software.classification | SCALA |
Refinement _software.classification | PHENIX (1.10.1_2155) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 27.272 32.236 34.316 88.22 71.18 68.69 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.670 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
| Rmerge | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.071 |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 6847 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 14.50 |
Completeness [%] _reflns.percent_possible_obs | 98.9 |
Multiplicity _reflns.pdbx_redundancy | 3.0 |
CC(1/2) _reflns.pdbx_CC_half | 0.997 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6D6E |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-04-20 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.4 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1360 / 0.1869 |