3SKD

Crystal structure of the Thermus thermophilus cas3 HD domain in the presence of Ni2+

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	35.362 - 2.000
R-factor	0.1773
Rwork	0.176
R-free	0.20570
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.016
RMSD bond angle	1.483
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.6_288)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.362	35.322	2.110
High resolution limit [Å]	1.998	6.320	2.000
Rmerge		0.082	0.705
Total number of observations		6713	28967
Number of reflections	17751
<I/σ(I)>	9.5	7.1	1
Completeness [%]	99.9	99.5	99.5
Redundancy	12	9.7	11.5

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