3EUA

CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (BSU32610) FROM BACILLUS SUBTILIS AT 1.90 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	2008-07-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908,0.97864
Spacegroup name	P 1
Unit cell lengths	60.857, 91.822, 119.041
Unit cell angles	109.30, 100.45, 96.55

Refinement procedure

Resolution	29.975 - 1.900
R-factor	0.17
Rwork	0.168
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.647
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.975	29.980	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.079	0.035	0.420
Total number of observations		3933	25900
Number of reflections	179677
<I/σ(I)>	7.179	13.9	1.6
Completeness [%]	97.1	96.5	95.9
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	15.0% Glycerol, 0.1700M NH4OAc, 25.5% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K