6D9D

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

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	2014-03-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	98.240, 98.240, 127.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.923 - 2.200
R-factor	0.1631
Rwork	0.162
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5br7
RMSD bond length	0.008
RMSD bond angle	1.138
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]	38.923	38.920	2.270
High resolution limit [Å]	2.200	8.800	2.200
Rmerge	0.097	0.044	0.955
Rmeas	0.099	0.045	0.972
Rpim	0.018	0.010	0.178
Number of reflections	60563	595	2940
<I/σ(I)>	24.3
Completeness [%]	100.0	98.5	100
Redundancy	29.2	22.5	29.5
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