Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-30 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 69.151, 103.912, 169.156 |
Unit cell angles | 92.48, 97.34, 106.43 |
Refinement procedure
Resolution | 66.847 - 1.910 |
Rwork | 0.190 |
R-free | 0.22070 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.401 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.847 | 1.940 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 332768 | 16038 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 95.9 | |
Redundancy | 3.2 | |
CC(1/2) | 0.997 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium tartrate pH 7.0, PEG 3,350 |