9XY2

One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108
Detector technology	CCD
Collection date	2017-07-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	39.306, 76.155, 167.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.246 - 2.402
R-factor	0.1991
Rwork	0.194
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.077	0.048	0.322
Rmeas	0.084	0.052	0.357
Rpim	0.032	0.020	0.151
Total number of observations	136024
Number of reflections	20152	2223	1858
<I/σ(I)>	10.2
Completeness [%]	98.2	99.2	92.3
Redundancy	6.7	6.5	5.2
CC(1/2)		0.997	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM HEPES pH 9.0, 200mM ammonium sulfate, 30% PEG 3350