4WXD

Crystal structure of Mycobacterium tuberculosis OGT-R37K

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	2013-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	59.096, 81.879, 38.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.600 - 2.300
R-factor	0.1863
Rwork	0.184
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bhb
RMSD bond length	0.008
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.600	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.039	0.174
Number of reflections	8668
<I/σ(I)>	26.7	8.7
Completeness [%]	99.5
Redundancy	5.9	6

Crystallization Conditions

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