4Z20

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-12-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	45.690, 172.262, 59.994
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	86.130 - 3.200
R-factor	0.2361
Rwork	0.233
R-free	0.29120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lox
RMSD bond length	0.010
RMSD bond angle	1.343
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]	86.130	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.064	0.025	0.795
Rmeas	0.075	0.029	0.929
Rpim	0.039	0.015	0.478
Total number of observations	69222
Number of reflections	18370
<I/σ(I)>	19.3
Completeness [%]	98.9	98.7	98.3
Redundancy	3.8	3.7	3.7
CC(1/2)		0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25% PEG 2000 MME, 5mM CaCl2