5KJP

Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	I 2 3
Unit cell lengths	121.476, 121.476, 121.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.632 - 1.800
R-factor	0.1549
Rwork	0.153
R-free	0.18380
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.899
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXDE
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.632
High resolution limit [Å]	1.800
Rmerge	0.053
Number of reflections	40251
<I/σ(I)>	9
Completeness [%]	97.9
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.2 M Ammonium Sulfate 0.1 M Bis-Tris:HCl pH 6.5 25% (w/v) PEG 3350