5U31

Crystal structure of AacC2c1-sgRNA-8mer substrate DNA ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	117.249, 182.152, 216.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.295 - 2.890
R-factor	0.1997
Rwork	0.198
R-free	0.23930
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.620
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.980
High resolution limit [Å]	2.890	2.890
Number of reflections	52212
<I/σ(I)>	11.7	1.2
Completeness [%]	100.0	100
Redundancy	14.3	11.8
CC(1/2)	0.996	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.2	293	0.2 M ammonium acetate, 0.1 M HEPES (pH 7.5), and 25% PEG3350 (v/v)