7X4B

Crystal Structure of An Anti-CRISPR Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979150
Spacegroup name	P 42
Unit cell lengths	82.710, 82.710, 34.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.240 - 1.610
R-factor	0.1981
Rwork	0.198
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vgb
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	XDS (20210323)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.240	1.668
High resolution limit [Å]	1.610	1.610
Rmerge	0.073	0.949
Rpim	0.027	0.353
Number of reflections	30571	3010
<I/σ(I)>	17.39	2.38
Completeness [%]	99.9	99.9
Redundancy	8.1	8.2
CC(1/2)	0.998	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	1.8 M (NH4)2SO4, 0.1 M Bis-Tris pH6.5, 2% (v/v) polyethylene glycol monomethyl ether 550