6D2E

Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-galactopyranose (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	2014-01-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	98.410, 98.410, 127.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.572 - 2.050
R-factor	0.1629
Rwork	0.161
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5br7
RMSD bond length	0.008
RMSD bond angle	1.091
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]	33.572	33.570	2.110
High resolution limit [Å]	2.050	8.450	2.050
Rmerge	0.101	0.048	0.949
Rmeas	0.102	0.049	0.965
Rpim	0.019	0.010	0.177
Number of reflections	75195	668	3399
<I/σ(I)>	22.4
Completeness [%]	100.0	98.3	100
Redundancy	29.3	23.4	29.6
CC(1/2)	0.999	0.999	0.921

Crystallization Conditions

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