3NRE

Crystal structure of a Putative aldose 1-epimerase (b2544) from ESCHERICHIA COLI K12 at 1.59 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	2010-03-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97936,0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	73.733, 72.005, 272.790
Unit cell angles	90.00, 90.70, 90.00

Refinement procedure

Resolution	28.544 - 1.590
R-factor	0.162
Rwork	0.161
R-free	0.19000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.674
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.544	28.544	1.650
High resolution limit [Å]	1.590	3.420	1.590
Rmerge	0.035	0.022	0.266
Number of reflections	189340	33390	37262
<I/σ(I)>	10.54	24.8	2.1
Completeness [%]	93.5	88.2	93.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M magnesium chloride, 20.0000% polyethylene glycol 8000, 0.1M TRIS pH 8.5, Additive 0.005M D-GLUCOSE, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K