4YIS

Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	75.869, 91.799, 139.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.890
R-factor	0.2202
Rwork	0.217
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.009
RMSD bond angle	1.253
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.101	0.058	0.692
Total number of observations	74772
Number of reflections	23588
<I/σ(I)>	13.3
Completeness [%]	94.2	91.2	93.9
Redundancy	3.2	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	26% PEG 3350, 5mM DDT, 5mM CaCl2