4FN6

Structural Characterization of Thiaminase type II TenA from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 21 21 21
Unit cell lengths	103.276, 104.061, 109.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.872 - 2.690
R-factor	0.2159
Rwork	0.213
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3no6
RMSD bond length	0.010
RMSD bond angle	1.223
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.690
Rmerge	0.042
Number of reflections	31741
<I/σ(I)>	3.3
Completeness [%]	95.3
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	28%(w/v) PEG 3500, 0.2 M sodium acetate and 0.1 M Tris HCl buffer pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K