6O47
human cGAS core domain (K427E/K428E) bound with RU-521
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 | 2017-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 64 |
Unit cell lengths | 116.157, 116.157, 59.951 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.265 - 2.196 |
R-factor | 0.1848 |
Rwork | 0.181 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o68 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.751 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.000 | 2.200 |
Rmerge | 0.079 | 0.601 |
Rmeas | 0.083 | 0.648 |
Rpim | 0.025 | 0.239 |
Number of reflections | 23702 | 2322 |
<I/σ(I)> | 33.9 | 4 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 10.5 | 7 |
CC(1/2) | 0.998 | 0.864 |
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 |