6O56

HNH Nuclease from S. pyogenes Cas9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-23
Detector	RIGAKU SATURN 944
Wavelength(s)	1.541780
Spacegroup name	P 21 21 21
Unit cell lengths	51.525, 56.063, 80.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.037 - 1.900
R-factor	0.2071
Rwork	0.205
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cmp
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3409)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.040	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.095	0.415
Rmeas	0.112	0.559
Rpim	0.057	0.371
Number of reflections	18641	939
<I/σ(I)>	11.6	2.6
Completeness [%]	97.8	78.7
Redundancy	6.3	2.9
CC(1/2)	0.997	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M [imidazole and MES] pH 6.5, 25% (v/v) [2-methyl-2,4-pentanediol, PEG1000, and PEG3350], 0.3 M [diethylene glycol, triethylene glycol, tetraethylene glycol, pentaethlyene glycol]