Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.738, 214.335, 55.766 |
Unit cell angles | 90.00, 97.09, 90.00 |
Refinement procedure
Resolution | 55.340 - 1.872 |
R-factor | 0.1952 |
Rwork | 0.193 |
R-free | 0.23590 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | Aimless |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.340 | 1.890 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmeas | 0.039 | 0.620 |
Number of reflections | 87176 | 2102 |
<I/σ(I)> | 10.9 | 1.7 |
Completeness [%] | 99.0 | 93 |
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 |