6D9A

Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, reduced)

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]	100
Detector technology	CCD
Collection date	2014-03-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	97.430, 97.430, 128.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.009 - 2.900
R-factor	0.1688
Rwork	0.165
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5br7
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.720	48.720	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.121	0.041	0.880
Rmeas	0.123	0.042	0.895
Rpim	0.023	0.009	0.167
Number of reflections	26212	617	2254
<I/σ(I)>	22.5
Completeness [%]	100.0	99.3	100
Redundancy	27.8	23.5	27.8
CC(1/2)	0.999	0.999	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	100 mM Tris, 28% PEG400, 20% isopropanol