4GV8

DUTPase from phage phi11 of S.aureus: visualization of the species-specific insert

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 43 2 2
Unit cell lengths	109.660, 109.660, 169.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.100 - 2.100
R-factor	0.1858
Rwork	0.183
R-free	0.23224
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2py4
RMSD bond length	0.017
RMSD bond angle	1.888
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.104	47.100	2.150
High resolution limit [Å]	2.100	2.150	2.100
Rmerge		0.058	0.978
Number of reflections	60917
<I/σ(I)>		34.37	3.07
Redundancy		13.3	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	25% MPD, 0.02M calcium chloride, 0.1M sodium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K