4HC8

CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	I 2 3
Unit cell lengths	154.883, 154.883, 154.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.430 - 2.510
R-factor	0.1856
Rwork	0.182
R-free	0.24860
Structure solution method	SAD
Starting model (for MR)	Built using Buccaneer
RMSD bond length	0.012
RMSD bond angle	1.575
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	SHELX (C)
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.550
High resolution limit [Å]	2.510	2.510
Number of reflections	21213
<I/σ(I)>	27.07	4.7
Completeness [%]	100.0	100
Redundancy	21.9	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol, Reservoir (Crystal Screen F11: 1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane), Cryoprotection (30% Ethylene glycol), VAPOR DIFFUSION, SITTING DROP, temperature 298K