7XZ3

Crystal structure of the Type I-B CRISPR-associated protein, Csh2 from Thermobaculum terrenum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	30.946, 54.432, 96.364
Unit cell angles	106.50, 91.49, 90.09

Refinement procedure

Resolution	19.895 - 1.889
R-factor	0.1788
Rwork	0.177
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kha
RMSD bond length	0.003
RMSD bond angle	0.688
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.930
High resolution limit [Å]	1.889	5.130	1.900
Rmerge	0.067	0.039	0.557
Rmeas	0.079	0.045	0.667
Rpim	0.042	0.024	0.362
Number of reflections	46406	2327	2320
<I/σ(I)>	5.8
Completeness [%]	96.7	98.2	95.4
Redundancy	3.4	3.6	3.2
CC(1/2)		0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	7 % (w/v) Polyethylene glycol 3350, 2 % (v/v) Tacsimate pH 5.0, 0.1 M Sodium citrate pH 5.6