8HEL

Crystal Structure of Anti-CRISPR AcrIE3

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	2021-05-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	58.353, 58.353, 90.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.077 - 1.332
R-factor	0.1944
Rwork	0.191
R-free	0.22920
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.835
Data scaling software	HKL-2000
Phasing software	PHENIX (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	1.380
High resolution limit [Å]	1.330	2.870	1.330
Rmerge	0.963	0.067	1.889
Total number of observations	502158
Number of reflections	18288	3412	3357
<I/σ(I)>	8.1
Completeness [%]	99.9	98.8	100
Redundancy	14.7	14.1	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	1.25 M 1,6-hexanediol, 10 mM cobalt(II) chloride hexahydrate, 100 mM sodium acetate, pH 3.7