9XY1

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	2017-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	38.671, 70.440, 165.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.484 - 1.923
R-factor	0.207
Rwork	0.205
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.126
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.990
High resolution limit [Å]	1.920	4.140	1.920
Rmerge	0.058	0.038	0.665
Rmeas	0.061	0.040	0.694
Rpim	0.017	0.011	0.198
Total number of observations	447964
Number of reflections	35463	3817	3442
<I/σ(I)>	10.2
Completeness [%]	100.0	100	100
Redundancy	12.6	12	12.1
CC(1/2)		0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM sodium acetate pH 5.0, 200mM calcium acetate, 40% PEG 400