Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.902, 212.545, 55.811 |
Unit cell angles | 90.00, 96.79, 90.00 |
Refinement procedure
Resolution | 45.580 - 1.929 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22360 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | CSearch |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.580 | 1.970 |
High resolution limit [Å] | 1.929 | 1.929 |
Rmeas | 0.047 | 0.726 |
Number of reflections | 77010 | 4165 |
<I/σ(I)> | 11.8 | 2 |
Completeness [%] | 96.6 | 89.4 |
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 |