7FU3
Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999990 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 47.798, 58.695, 124.929 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.695 - 1.822 |
R-factor | 0.1971 |
Rwork | 0.194 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.700 | 58.695 | 1.870 |
High resolution limit [Å] | 1.820 | 8.150 | 1.820 |
Rmerge | 0.086 | 0.019 | 6.956 |
Rmeas | 0.093 | 0.021 | 7.616 |
Total number of observations | 208031 | ||
Number of reflections | 32267 | 437 | 2341 |
<I/σ(I)> | 10.99 | 55.04 | 0.23 |
Completeness [%] | 99.9 | 98.9 | 99.9 |
Redundancy | 6.447 | 5.352 | 6.066 |
CC(1/2) | 0.999 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10-12 mg/mL protein in 25 mM Tris/HCl pH7.5, 500mM NaCl, 2mM TCEP, supplemented with 10x molar excess of ligand and, if needed, with 10 mM MgCl2 and 5mM ATP, then mixed 1:1 with reservoir of the Procomplex screen. Several conditions resulted in crystals. |