3MYB

Crystal structure of enoyl-coa hydratase mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 32
Unit cell lengths	78.450, 78.450, 113.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.540 - 1.550
R-factor	0.115
Rwork	0.114
R-free	0.13300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vx2 modified with CCP4 program chainsaw
RMSD bond length	0.015
RMSD bond angle	1.508
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.097	0.513
Number of reflections	113396
<I/σ(I)>	12.72	3.6
Completeness [%]	100.0	100
Redundancy	6.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	EBS JCSG+ SCREEN D1: 24% PEG 1500, 20% GLYCEROL; MYSMA.00358.J AT MG/ML, PH N/A, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K