4YIT

Crystal Structure of LAGLIDADG Meganuclease I-AabMI 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	2014-08-01
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	41.960, 61.536, 88.621
Unit cell angles	97.18, 99.10, 101.89

Refinement procedure

Resolution	50.000 - 3.240
R-factor	0.229
Rwork	0.225
R-free	0.29880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.008
RMSD bond angle	1.385
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	3.240
High resolution limit [Å]	3.130	6.740	3.130
Rmerge	0.101	0.033	0.324
Total number of observations	53531
Number of reflections	14205
<I/σ(I)>	7.8
Completeness [%]	96.8	98.8	91.2
Redundancy	3.8	3.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 550 MME, 20mM CaCl2