3FKJ

Crystal structure of a putative phosphosugar isomerase (stm_0572) from salmonella typhimurium lt2 at 2.12 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	2008-11-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.90496,0.97858,0.97824
Spacegroup name	P 65
Unit cell lengths	63.880, 63.880, 295.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.323 - 2.120
R-factor	0.167
Rwork	0.165
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.323	29.323	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.054	0.029	0.411
Number of reflections	38085	7470	6352
<I/σ(I)>	12.91	32.8	1.95
Completeness [%]	91.2	95.3	78.2
Redundancy	5.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	0.2000M NaThioCyanate, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K