5ER9

Structure of oxidized UDP-galactopyranose mutase from Mycobacterium smegmatis in complex with UDP in mixed conformation and closed form

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	2014-10-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	123.675, 131.426, 135.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.513 - 1.689
R-factor	0.1883
Rwork	0.187
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eqd
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.689	3.660	1.689
Rmerge	0.093	0.061	0.810
Rmeas	0.099	0.066	0.871
Rpim	0.036	0.024	0.319
Total number of observations	914126
Number of reflections	122178
<I/σ(I)>	7.9
Completeness [%]	100.0	99.9	100
Redundancy	7.5	7.4	7.4
CC(1/2)		0.996	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100 mM Tris-HCl, 100 mM sodium nitrate, 1.8 M ammonium sulfate