7FUH
Crystal Structure of human cyclic GMP-AMP synthase in complex with phosphate
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 | 2019-05-03 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000050 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 122.000, 47.750, 57.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.750 - 1.944 |
R-factor | 0.1919 |
Rwork | 0.189 |
R-free | 0.25030 |
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 (dev_3488) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.750 | 57.750 | 1.990 |
High resolution limit [Å] | 1.940 | 8.690 | 1.940 |
Rmerge | 0.072 | 0.018 | 9.900 |
Rmeas | 0.102 | 0.026 | 19.046 |
Total number of observations | 154994 | ||
Number of reflections | 87392 | 1009 | 6213 |
<I/σ(I)> | 5.33 | 28.82 | |
Completeness [%] | 91.5 | 93.9 | 86.6 |
Redundancy | 1.774 | 1.858 | 1.698 |
CC(1/2) | 0.998 | 0.998 |
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 |