5EQD

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978542
Spacegroup name	I 2 2 2
Unit cell lengths	124.188, 132.184, 135.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 1.830
R-factor	0.1696
Rwork	0.168
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8t
RMSD bond length	0.007
RMSD bond angle	1.059
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.830	3.990	1.830
Rmerge	0.088	0.054	0.694
Rmeas	0.095	0.058	0.752
Rpim	0.035	0.021	0.286
Total number of observations	699321
Number of reflections	96510
<I/σ(I)>	8.7
Completeness [%]	100.0	99.9	100
Redundancy	7.2	7.3	6.8
CC(1/2)		0.997	0.844

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