9C8N

Crystal Structure of human cyclic GMP-AMP synthase in complex with AMPPNP and compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97
Spacegroup name	P 21 2 21
Unit cell lengths	51.795, 60.047, 128.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.230 - 1.550
R-factor	0.1907
Rwork	0.190
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.452
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.230	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.089
Number of reflections	58486	4149
<I/σ(I)>	19.3
Completeness [%]	99.6
Redundancy	7.2
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris pH 8.0, 0.1 M Lithium Sulfate, 20% PEG 4000