3UVF

Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space

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	2011-06-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	181.591, 73.592, 82.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 3.000
R-factor	0.28488
Rwork	0.280
R-free	0.37811
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eh8
RMSD bond length	0.014
RMSD bond angle	2.004
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.710	2.800	2.580
High resolution limit [Å]	2.490	2.680	2.490
Rmerge		0.166	0.251
Number of reflections	22602
<I/σ(I)>	23.2	10	5.45
Completeness [%]	97.6	96.3	93.7
Redundancy	6.4	6.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K