9XY8

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	2016-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.54209
Spacegroup name	P 21 21 21
Unit cell lengths	39.222, 76.159, 167.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.073 - 2.490
R-factor	0.1988
Rwork	0.193
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.594
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.580
High resolution limit [Å]	2.490	5.360	2.490
Rmerge	0.071	0.061	0.297
Rmeas	0.077	0.068	0.325
Rpim	0.031	0.028	0.129
Total number of observations	113959
Number of reflections	18355	3417	3314
<I/σ(I)>	7
Completeness [%]	99.5	99.9	97.1
Redundancy	6.2	5.8	6.1
CC(1/2)		0.994	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100mM HEPES pH 7.0, 200mM ammonium sulfate, 30% PEG 3350