5VDU
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2016-07-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.415, 48.019, 86.466 |
Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
Resolution | 52.274 - 2.729 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.25210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o67 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.665 |
Data reduction software | Aimless |
Data scaling software | Aimless (0.5.12) |
Phasing software | REFMAC |
Refinement software | PHENIX (dev_1999) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.274 | 83.540 | 2.880 |
High resolution limit [Å] | 2.729 | 8.630 | 2.730 |
Rmerge | 0.119 | 0.027 | 0.692 |
Rmeas | 0.143 | 0.033 | 0.820 |
Rpim | 0.078 | 0.018 | 0.437 |
Number of reflections | 22940 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 98.5 | 95.6 | 99.6 |
Redundancy | 3.3 | 3.1 | 3.4 |
CC(1/2) | 0.991 | 0.998 | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 18-20% PEG 3350, 0.2 M ammonium citrate pH 7 |