6ILB

Native crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 1
Unit cell lengths	51.816, 73.470, 74.673
Unit cell angles	98.14, 110.16, 90.12

Refinement procedure

Resolution	39.389 - 2.505
R-factor	0.193707068998
Rwork	0.191
R-free	0.25101
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.067	0.039	0.407
Rmeas	0.079	0.046	0.478
Rpim	0.041	0.023	0.249
Number of reflections	33313	1726	1694
<I/σ(I)>	6.5
Completeness [%]	95.5	98.8	94.7
Redundancy	3.5	3.8	3.6
CC(1/2)		0.997	0.890

Crystallization Conditions

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