9XYA

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 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	108
Detector technology	CCD
Collection date	2016-12-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	39.557, 75.838, 166.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.840 - 2.303
R-factor	0.2177
Rwork	0.213
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.300	5.000	2.320
Rmerge	0.105	0.064	0.849
Rmeas	0.109	0.067	0.892
Rpim	0.030	0.018	0.268
Number of reflections	22748	4221	4097
<I/σ(I)>	8.9
Completeness [%]	99.7	99.4	99.2
Redundancy	13.3	12.9	10
CC(1/2)		0.999	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM HEPES pH 6.5, 200mM ammonium sulfate, 28% PEG 3350