9KJB

Crystal structure of Anti-CRISPR AcrIE7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2024-03-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 63
Unit cell lengths	59.450, 59.450, 63.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.950 - 2.110
R-factor	0.1921
Rwork	0.187
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.950	2.189
High resolution limit [Å]	2.110	2.110
Number of reflections	153965	7409
<I/σ(I)>	32.47
Completeness [%]	99.9
Redundancy	20.3
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	22% (w/v) Poly (acrylic acid sodium salt) 2100, 0.1 M HEPES pH 6.3, 0.1 M Sodium malonate dibasic monohydrate, 30% methanol