4RPH

Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp (reduced)

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	2014-03-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	171.730, 99.470, 100.240
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	48.572 - 2.600
R-factor	0.2095
Rwork	0.208
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MtUGM:UDP-Galp model (4RPG)
RMSD bond length	0.002
RMSD bond angle	0.612
Data reduction software	AutoProcess
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.572		2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.073	0.028	0.820
Number of reflections	48236	578	3501
<I/σ(I)>	11.27	27.37	1.74
Completeness [%]	98.7	98	97.8
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Hanging drop vapor diffusion	5.5	277	0.1M Bis-Tris pH 5.5, 17.5% PEG 3350, 0-0.2M Ammonium acetate, Hanging drop vapor diffusion, temperature 277K