8HEK

Crystal Structure of Anti-CRISPR AcrIE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	26.960, 47.351, 56.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.185 - 1.230
R-factor	0.1814
Rwork	0.180
R-free	0.19890
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.003
Data scaling software	HKL-2000 (v723)
Phasing software	PHASER (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.270
High resolution limit [Å]	1.230	2.650	1.230
Rmerge	0.077	0.073	0.222
Rmeas	0.080	0.077	0.231
Rpim	0.022	0.023	0.063
Total number of observations	294824
Number of reflections	21354	2190	2072
<I/σ(I)>	16
Completeness [%]	98.3	93.3	97.8
Redundancy	13.8	11.5	13.2
CC(1/2)		0.992	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	17% w/v PEG8000, 200 mM sodium chloride, 100 mM sodium phosphate dibasic/citric acid, pH 3.8