2Q02

Crystal structure of a xylose isomerase domain containing protein (stm4435) from salmonella typhimurium lt2 at 2.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97922, 0.97894
Spacegroup name	P 21 21 21
Unit cell lengths	94.500, 95.230, 136.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.386 - 2.400
R-factor	0.186
Rwork	0.184
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.333
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.386		2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.057	0.025	0.322
Number of reflections	48661	9424	9080
<I/σ(I)>	9.83	23	2.4
Completeness [%]	98.5	98.4	92.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 20.0% Glycerol, 0.16M Mg(OAc)2, 16.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K