2FLD

I-MsoI Re-Designed for Altered DNA Cleavage Specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-01
Detector	ADSC QUANTUM 4
Spacegroup name	P 1
Unit cell lengths	41.961, 42.981, 71.545
Unit cell angles	72.29, 72.30, 70.51

Refinement procedure

Resolution	39.500 - 2.000
R-factor	0.229
Rwork	0.229
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5x MUTATED RESIDUES EXCLUDED
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.500	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.338
Number of reflections	27855
<I/σ(I)>	22.3	3
Completeness [%]	94.1	74.2
Redundancy	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	278	30% PEG 400, 100 mM Tris, 50 mM NaCl, 10 mM CaCl2, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	30% PEG 400, 100 mM Tris,50 mM NaCl, 10 mM CaCl2
2	1	2	30% PEG 400, 100 mM Tris,50 mM NaCl, 10 mM CaCl2