3SK9

Crystal structure of the Thermus thermophilus cas3 HD domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	48.638, 48.638, 206.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.691 - 1.800
R-factor	0.1683
Rwork	0.167
R-free	0.19540
Structure solution method	MIRAS
RMSD bond length	0.016
RMSD bond angle	1.425
Data scaling software	SCALA (3.3.16)
Phasing software	SOLVE (2.13)
Refinement software	PHENIX (1.6_288)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.691	39.546	1.900
High resolution limit [Å]	1.798	5.690	1.800
Rmerge		0.030	0.495
Total number of observations		9139	34792
Number of reflections	23815
<I/σ(I)>	22.7	20.7	1.6
Completeness [%]	99.4	99.7	96.4
Redundancy	11.7	10	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	PEG 300, pH 4.2, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP