4Z1Z

Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTCT Central Four

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]	100
Detector technology	CCD
Collection date	2015-02-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.55
Spacegroup name	P 1 21 1
Unit cell lengths	41.869, 179.282, 65.401
Unit cell angles	90.00, 95.48, 90.00

Refinement procedure

Resolution	89.640 - 3.200
R-factor	0.2401
Rwork	0.238
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lox
RMSD bond length	0.009
RMSD bond angle	1.407
Data reduction software	HKL-2000
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	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.221	0.098	0.719
Rmeas	0.229	0.101	0.755
Rpim	0.061	0.027	0.220
Total number of observations	234481
Number of reflections	16992
<I/σ(I)>	5.1
Completeness [%]	98.5	99.2	95.5
Redundancy	13.8	14.8	10.9
CC(1/2)		1.000	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	25% PEG 3550, 5mM CaCl2