3VW5

Crystal structure of sugar epimerase from ruminal bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	98.930, 100.880, 186.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.127 - 2.600
R-factor	0.1751
Rwork	0.173
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gt5
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((AutoMR: 1.7.1_743))
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.009	0.623
Number of reflections	57248
<I/σ(I)>	12.14	2.1
Completeness [%]	98.2	95.3
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.6M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K