6IL9

One Glycerol complexed Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98000
Spacegroup name	C 1 2 1
Unit cell lengths	147.148, 52.350, 73.997
Unit cell angles	90.00, 103.41, 90.00

Refinement procedure

Resolution	35.785 - 1.720
R-factor	0.183340469848
Rwork	0.182
R-free	0.21755
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ilb
RMSD bond length	0.006
RMSD bond angle	0.776
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmerge	0.105	0.103	0.469
Rmeas	0.114	0.112	0.508
Rpim	0.043	0.043	0.194
Number of reflections	58374	3043	2896
<I/σ(I)>	8.2
Completeness [%]	99.9	100	99.5
Redundancy	6.8	6.8	6.7
CC(1/2)		0.964	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	287	0.2 M MgCl2, 15% (w/v) PEG 3350, and 0.1 M Tris (base)/HCl (pH 8.5)