9XY9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	108
Detector technology	PIXEL
Collection date	2017-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	39.351, 76.613, 167.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.120 - 1.995
R-factor	0.2159
Rwork	0.213
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.382
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	2.070
High resolution limit [Å]	1.995	4.310	2.000
Rmerge	0.067	0.045	0.719
Rmeas	0.070	0.047	0.750
Rpim	0.020	0.013	0.209
Number of reflections	35138	3796	3459
<I/σ(I)>	10.1
Completeness [%]	99.1	99.9	98.4
Redundancy	12.9	12.1	12.6
CC(1/2)		0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Potassium sodium tartrate tetrahydrate, 27.5% w/v Polyethylene glycol 3,350