Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2018-07-22 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.047, 84.525, 105.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.773 - 2.273 |
R-factor | 0.2242 |
Rwork | 0.221 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wx5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.137 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.773 | 2.320 |
High resolution limit [Å] | 2.273 | 2.273 |
Number of reflections | 14810 | 14810 |
<I/σ(I)> | 33.846 | |
Completeness [%] | 97.4 | |
Redundancy | 13.1 | |
CC(1/2) | 0.983 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG8000,EG,HEPES PH7.5 |