5DLD

Crystal Structure of a UDP-N-acetylglucosamine 2-epimerase from Burkholderia vietnamiensis complexed with UDP-GlcNAc and UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	116.000, 81.410, 55.160
Unit cell angles	90.00, 98.03, 90.00

Refinement procedure

Resolution	27.310 - 1.450
R-factor	0.1357
Rwork	0.134
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vgv
RMSD bond length	0.007
RMSD bond angle	1.133
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((dev_2050: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.049	0.023	0.527
Rmeas	0.056	0.026	0.626
Total number of observations	360763
Number of reflections	87041	1013	6215
<I/σ(I)>	18.04	49.77	2.22
Completeness [%]	97.0	96.6	94.3
Redundancy	4.1		3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	BuviA.00061.c.B1.PS02389 at 24.8 mg/ml incubated with 3 mM UDP-N-acetylglucosamine, then then mixed 1:1 with MCSG1(f5): 20% PEG-3350, 0.2 M sodium acetate, cryoprotected with 20% ethylene glycol