6VLB

Crystal structure of ligand-free UDP-GlcNAc 2-epimerase from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	C 1 2 1
Unit cell lengths	211.550, 49.510, 81.220
Unit cell angles	90.00, 90.93, 90.00

Refinement procedure

Resolution	36.420 - 1.850
R-factor	0.1841
Rwork	0.182
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6d
RMSD bond length	0.010
RMSD bond angle	1.466
Data reduction software	XDS (VERSION September 26, 2012)
Data scaling software	XSCALE (VERSION July 4, 2012)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.065	0.427
Rmeas	0.077	0.498
Number of reflections	71340	19336
<I/σ(I)>	10.8	2.65
Completeness [%]	98.7	97
Redundancy	3.46	3.75
CC(1/2)	0.997	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	50% (v/v) PEG-200, 100 mM phosphate-citrate, pH 4.2, and 200 mM NaCl.