6VLC

Crystal structure of UDP-GlcNAc 2-epimerase from Neisseria meningitidis bound to UDP-GlcNAc

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	2014-12-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03317
Spacegroup name	C 2 2 21
Unit cell lengths	124.880, 129.740, 213.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 2.150
R-factor	0.1689
Rwork	0.168
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6d
RMSD bond length	0.012
RMSD bond angle	1.492
Data reduction software	XDS (January 10, 2014)
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.970	38.970	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.054	0.014	0.480
Rmeas	0.063	0.016	0.564
Total number of observations	348834
Number of reflections	92958	1068	6787
<I/σ(I)>	18.68	67.18	2.45
Completeness [%]	98.8	90.8	98.6
Redundancy	3.753	3.687	3.59
CC(1/2)	0.999	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	22% PEG-5000, 100 mM Sodium citrate/citric acid, pH 5.5, and 10 mM UDP-GlcNAc