5V0Q

Original engineered variant of I-OnuI meganuclease targeting the HIV integrase gene; harbors 49 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	39.693, 74.419, 164.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.207 - 2.400
R-factor	0.1901
Rwork	0.186
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.003
RMSD bond angle	0.632
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.101	0.066	0.800
Rmeas	0.106	0.069	0.835
Rpim	0.030	0.021	0.237
Total number of observations	243015
Number of reflections	19980		1986
<I/σ(I)>	7.7
Completeness [%]	99.9	100	99.6
Redundancy	12.2	11.8	11.8
CC(1/2)		0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	19% (w/v) PEG 2000, 6% (w/v) PEG-MME 8000, 100mM BIS-TRIS pH 8.0 200mM sodium chloride