5THG

Engineered variant of I-OnuI meganuclease targeting the HIV CCR5 gene; harbors 43 point mutations relative to wild-type I-OnuI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	75.959, 112.351, 122.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.769 - 3.106
R-factor	0.2264
Rwork	0.221
R-free	0.27880
RMSD bond length	0.006
RMSD bond angle	0.690
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.10_2155))
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.157	0.694
Number of reflections	19313
<I/σ(I)>	12.7	2.2
Completeness [%]	100.0	99.9
Redundancy	7.2	6.8
CC(1/2)	0.924	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	28% PEG 8000, 100mM HEPES pH 6.6, 5mM Calcium Chloride