Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | .97242 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.813, 211.913, 55.539 |
Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
Resolution | 45.560 - 1.910 |
R-factor | 0.17801 |
Rwork | 0.176 |
R-free | 0.22010 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.314 |
Data reduction software | XDS (5.8.0232) |
Data scaling software | Aimless |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.560 | 1.930 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmeas | 0.047 | 0.933 |
Number of reflections | 79049 | 1911 |
<I/σ(I)> | 11.7 | 1.6 |
Completeness [%] | 97.5 | 91.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.5M K formate 15% PEG 3350 0.1M pH=8 Bis-Tris propane/HCl |