6D99

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

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	98.010, 98.010, 127.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.732 - 2.150
R-factor	0.1549
Rwork	0.153
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5br7
RMSD bond length	0.008
RMSD bond angle	1.130
Data reduction software	iMOSFLM
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]	46.870	46.870	2.220
High resolution limit [Å]	2.150	8.860	2.150
Rmerge	0.156	0.057	0.882
Rmeas	0.158	0.058	0.898
Rpim	0.029	0.012	0.165
Number of reflections	64409	580	2927
<I/σ(I)>	14.4
Completeness [%]	100.0	98.5	100
Redundancy	29.1	22.9	29.4
CC(1/2)	0.998	0.999	0.935

Crystallization Conditions

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