3HBA

Crystal structure of a putative phosphosugar isomerase (sden_2705) from shewanella denitrificans os217 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97961,0.97944
Spacegroup name	P 21 21 21
Unit cell lengths	74.579, 89.445, 109.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.136 - 2.000
R-factor	0.167
Rwork	0.165
R-free	0.20300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.526
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.136	29.136	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.061	0.019	0.507
Number of reflections	50053	9492	8924
<I/σ(I)>	10.69	34	1.7
Completeness [%]	98.5	98.1	95.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.64	277	17.5000% polyethylene glycol 6000, 0.1M citric acid pH 4.64, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K