3OH8

Crystal structure of the nucleoside-diphosphate sugar epimerase from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR91

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-10
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.97901
Spacegroup name	P 21 21 21
Unit cell lengths	64.497, 74.083, 128.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.776 - 1.997
R-factor	0.19
Rwork	0.188
R-free	0.22000
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.095	0.508
Number of reflections	73892
<I/σ(I)>	22.03	3.8
Completeness [%]	91.7	99.9
Redundancy	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	278	2% PEG 20000, 0.1M magnesium acetate, 0.1M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K