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 | 2016-10-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.379, 213.655, 55.657 |
Unit cell angles | 90.00, 96.40, 90.00 |
Refinement procedure
Resolution | 49.120 - 1.830 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.21190 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | Aimless |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.540 | 1.920 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmeas | 0.029 | 0.409 |
Number of reflections | 90887 | 12015 |
<I/σ(I)> | 17.6 | 2.2 |
Completeness [%] | 97.9 | 88.9 |
Redundancy | 3.2 | 2.4 |
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 |