5U30

Crystal structure of AacC2c1-sgRNA-extended 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)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	116.747, 184.807, 214.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.351 - 2.920
R-factor	0.2073
Rwork	0.205
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.448
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	3.020
High resolution limit [Å]	2.920	2.920
Number of reflections	50264
<I/σ(I)>	10.1	0.8
Completeness [%]	99.8	100
Redundancy	5.5	5.6
CC(1/2)	0.998	0.368

Crystallization Conditions

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