5EQF

Crystal structure of oxidized UDP-galactopyranose mutase from Corynebacterium diphtheriae with UDP bound in closed form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	115.565, 82.691, 108.567
Unit cell angles	90.00, 112.64, 90.00

Refinement procedure

Resolution	28.250 - 2.145
R-factor	0.179
Rwork	0.176
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eqd
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.400	30.400	2.230
High resolution limit [Å]	2.145	4.630	2.145
Rmerge	0.064	0.040	0.419
Rmeas	0.069	0.043	0.458
Rpim	0.025	0.016	0.181
Total number of observations	376968
Number of reflections	50316
<I/σ(I)>	10.6
Completeness [%]	97.5	99.2	90.5
Redundancy	7.5	7.4	5.8
CC(1/2)		0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	100 mM Bis-Tris, 200 mM lithium sulfate, 21% PEG 3350