Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.954, 39.592, 90.517 |
Unit cell angles | 90.00, 104.96, 90.00 |
Refinement procedure
Resolution | 55.050 - 1.760 |
Rwork | 0.189 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.004 |
RMSD bond angle | 1.225 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.050 | 1.823 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.501 | |
Number of reflections | 38875 | 3853 |
<I/σ(I)> | 19.61 | |
Completeness [%] | 99.2 | |
Redundancy | 3.3 | |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 22% PEG1500, 0.2M MES pH 6.0 |