5ZLT

Crystal structure of UDP-GlcNAc 2-epimerase NeuC complexed with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	85.587, 126.144, 145.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.591 - 2.500
R-factor	0.2068
Rwork	0.204
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zht
RMSD bond length	0.003
RMSD bond angle	0.679
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	0.478
Number of reflections	54200
<I/σ(I)>	14.6
Completeness [%]	97.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2M LiSO4, 0.1M Tris-HCl pH 8.5, 25% PEG 3350