5U33

Crystal structure of AacC2c1-sgRNA-extended non-target DNA ternary complex

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	2016-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	113.495, 179.108, 216.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.492 - 3.750
R-factor	0.2473
Rwork	0.245
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u31
RMSD bond length	0.003
RMSD bond angle	0.539
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.050
High resolution limit [Å]	3.750	3.750
Number of reflections	21992
<I/σ(I)>	5.2	0.6
Completeness [%]	99.8	99.7
Redundancy	5.9	5.7
CC(1/2)	0.995	0.399

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)