4RPJ

Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	176.483, 101.214, 102.056
Unit cell angles	90.00, 109.23, 90.00

Refinement procedure

Resolution	45.532 - 2.500
R-factor	0.1868
Rwork	0.185
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MtUGM in complex with UDP-Galp (4RPG)
RMSD bond length	0.002
RMSD bond angle	0.601
Data reduction software	d*TREK (9.9.9.7L)
Data scaling software	d*TREK (9.9.9.7L)
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.532	45.530	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.130	0.106	0.687
Number of reflections	58458
<I/σ(I)>	7.2	16.2	2.2
Completeness [%]	99.5	99.1	100
Redundancy	6.38	5.83	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Hanging drop vapor diffusion	5.5	277	0.1M Bis-Tris pH 5.5, 20% PEG 3350, 10mM Hexammine cobalt (III) chloride, Hanging drop vapor diffusion, temperature 277K