5T8D

Engineered variant of I-OnuI meganuclease targeting the HIV integrase gene; harbors 47 point mutations relative to wild-type I-OnuI

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	2016-03-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	39.701, 75.007, 165.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.381 - 2.150
R-factor	0.1847
Rwork	0.182
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.093	0.047	0.618
Rmeas	0.097	0.049	0.649
Rpim	0.027	0.014	0.193
Total number of observations	351202
Number of reflections	27792
<I/σ(I)>	6.7
Completeness [%]	99.9	100	99.2
Redundancy	12.6	12	11
CC(1/2)		0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.0, 22.5% w/v Polyethylene glycol 3,350