7FUA
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 | 2019-04-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000040 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 47.869, 57.873, 122.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.582 - 1.444 |
R-factor | 0.1882 |
Rwork | 0.187 |
R-free | 0.21350 |
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] | 57.870 | 44.582 | 1.480 |
High resolution limit [Å] | 1.440 | 6.460 | 1.440 |
Rmerge | 0.045 | 0.023 | 3.063 |
Rmeas | 0.050 | 0.026 | 3.460 |
Total number of observations | 302535 | ||
Number of reflections | 61569 | 799 | 4465 |
<I/σ(I)> | 13.03 | 51.21 | 0.45 |
Completeness [%] | 99.3 | 98.4 | 98.5 |
Redundancy | 4.914 | 4.602 | 4.561 |
CC(1/2) | 0.999 | 0.999 | 0.157 |
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 |