6ZL6

Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP and NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	42.482, 58.560, 64.904
Unit cell angles	96.77, 98.41, 110.30

Refinement procedure

Resolution	45.350 - 1.700
R-factor	0.1722
Rwork	0.171
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u4q
RMSD bond length	0.010
RMSD bond angle	1.675
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.350	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	55496	4023
<I/σ(I)>	10.2
Completeness [%]	93.0
Redundancy	1.7
CC(1/2)	0.990	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	200 mM potassium acetate and 14-24% PEG 3350, 2 mM NAD+