7LZ3
Computational design of constitutively active cGAS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.238, 106.363, 75.667 |
Unit cell angles | 90.00, 91.13, 90.00 |
Refinement procedure
Resolution | 47.230 - 2.180 |
R-factor | 0.2135 |
Rwork | 0.211 |
R-free | 0.26460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.456 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3500) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.230 | 2.240 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.103 | |
Number of reflections | 38992 | 2875 |
<I/σ(I)> | 7.2 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.6 | 4.5 |
CC(1/2) | 0.992 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.45 M potassium thiocyanate, 0.1 M Bis-Tris propane pH 7.0, and 20% PEG 3350 |