6MJU
human cGAS catalytic domain bound with the inhibitor G108
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 64 |
Unit cell lengths | 116.989, 116.989, 59.957 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.425 - 2.450 |
R-factor | 0.2258 |
Rwork | 0.222 |
R-free | 0.25630 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.519 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.430 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.069 | |
Rmeas | 0.073 | 0.903 |
Rpim | 0.023 | 0.384 |
Number of reflections | 17109 | 1635 |
<I/σ(I)> | 26.1 | 1.5 |
Completeness [%] | 98.4 | 89.6 |
Redundancy | 9.7 | 4.8 |
CC(1/2) | 0.997 | 0.582 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.064 M sodium citrate 7.0, 0.1 M HEPES, pH 7.0, 10% PEG5000MME |