9L69

Structure of the human cGAS with 2'3'-cGUMP

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-09-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	46.911, 117.002, 123.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.500 - 2.090
Rwork	0.230
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.500	2.200
High resolution limit [Å]	2.090	2.090
Rmerge	0.383	1.320
Rmeas	0.399	1.373
Rpim	0.112	0.375
Total number of observations	514831	78500
Number of reflections	41337	5942
<I/σ(I)>	7.5	2.4
Completeness [%]	100.0
Redundancy	12.5	13.2
CC(1/2)	0.994	0.438

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	0.1 M Tris pH 8.5, 15% PEG3350