6ANV

Crystal structure of anti-CRISPR protein AcrF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	87.389, 63.245, 96.733
Unit cell angles	90.00, 93.21, 90.00

Refinement procedure

Resolution	45.871 - 2.265
R-factor	0.1676
Rwork	0.165
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4exk
RMSD bond length	0.008
RMSD bond angle	0.935
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.125	0.070	0.411
Rmeas	0.142	0.080	0.476
Rpim	0.066	0.037	0.234
Total number of observations	195221
Number of reflections	47647	4873	4668
<I/σ(I)>	5.3
Completeness [%]	98.7	97.9	97.2
Redundancy	4.1	4.1	3.3
CC(1/2)		0.991	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.2	293	0.1 M MES (pH 6.2), 2.5% PEG 3000 (v/v), and 42% PEG400 (v/v)