4TWR

Structure of UDP-glucose 4-epimerase from Brucella abortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	90
Detector technology	CCD
Collection date	2014-06-11
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	76.600, 86.110, 126.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.992 - 1.900
R-factor	0.1806
Rwork	0.178
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.039
RMSD bond angle	1.118
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1769))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.049	0.023	0.519
Rmeas	0.053	0.025	0.557
Total number of observations	247010
Number of reflections	33325	404	2443
<I/σ(I)>	25.79	66.74	3.66
Completeness [%]	99.9	94.2	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	200mM Ammonium Acetate, 25% PEG 3350, 100mM Bis-Tris pH 5.5