6ILA

Two Glycerol complexed 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	2018-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	C 1 2 1
Unit cell lengths	135.269, 51.998, 73.974
Unit cell angles	90.00, 100.66, 90.00

Refinement procedure

Resolution	36.349 - 2.690
R-factor	0.20316698807
Rwork	0.199
R-free	0.28432
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ilb
RMSD bond length	0.009
RMSD bond angle	0.996
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	2.740
High resolution limit [Å]	2.675	7.290	2.690
Rmerge	0.177	0.109	0.496
Rmeas	0.192	0.118	0.557
Rpim	0.075	0.044	0.248
Number of reflections	14303	758	691
<I/σ(I)>	7.4
Completeness [%]	99.6	99.6	96.8
Redundancy	6	6.9	4.5
CC(1/2)		0.982	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	287	0.2 M Potassium sodium tartrate, 20% (w/v) PEG 3350