9C3G

human cGAS core domain (K427E/K428E) bound to Cladophorol A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 64
Unit cell lengths	115.597, 115.597, 60.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.050 - 2.750
R-factor	0.2271
Rwork	0.225
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.050	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.140	1.067
Rmeas	0.166	1.243
Rpim	0.070	0.521
Number of reflections	12058	571
<I/σ(I)>	11.3	1.6
Completeness [%]	99.7	99.7
Redundancy	5.4	5.5
CC(1/2)	0.847	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	295.15	100 mM MES/Sodium Hydroxide pH 7.2, 1% PEG 20000