7KXS
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 | 2018-06-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.023, 109.349, 77.004 |
Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
Resolution | 48.010 - 2.600 |
R-factor | 0.2132 |
Rwork | 0.209 |
R-free | 0.26140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.570 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.010 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.108 | 1.283 |
Number of reflections | 24481 | 2421 |
<I/σ(I)> | 7.17 | 0.9 |
Completeness [%] | 99.6 | 97.12 |
Redundancy | 3.7 | 3.4 |
CC(1/2) | 0.993 | 0.653 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % w/v Polyethylene glycol 3,350 200 mM Potassium thiocyanate |