7FTL
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 | 2018-04-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999940 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 44.962, 59.611, 164.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.000 - 2.200 |
R-factor | 0.2385 |
Rwork | 0.236 |
R-free | 0.28680 |
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 (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.000 | 82.000 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.059 | 0.030 | 0.256 |
Rmeas | 0.064 | 0.033 | 0.290 |
Total number of observations | 153771 | ||
Number of reflections | 22399 | 325 | 1209 |
<I/σ(I)> | 13.98 | 33.02 | 3.67 |
Completeness [%] | 96.4 | 99.1 | 71.5 |
Redundancy | 6.865 | 5.975 | 6.058 |
CC(1/2) | 0.996 | 0.995 | 0.992 |
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 |