4WXC

Crystal structure of Mycobacterium tuberculosis OGT-Y139F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 21 21 2
Unit cell lengths	59.340, 80.670, 37.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 2.600
R-factor	0.2078
Rwork	0.204
R-free	0.27610
RMSD bond length	0.009
RMSD bond angle	1.239
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.061	0.519
Number of reflections	5706
<I/σ(I)>	10.8	2.4
Completeness [%]	95.9
Redundancy	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	0.1M Hepes, 4% PEG8000, 8% ethylene glycol