2QVB

Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Collection date	2006-03-11
Detector	ADSC QUANTUM 210
Wavelength(s)	1.115869
Spacegroup name	P 21 21 21
Unit cell lengths	60.700, 65.700, 129.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.110 - 1.190
Rwork	0.120
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mj5
RMSD bond length	0.026
RMSD bond angle	2.177
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.230
High resolution limit [Å]	1.190	1.190
Rmerge	0.053	0.278
Number of reflections	134255
<I/σ(I)>	14.6
Completeness [%]	81.1	62
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, magnesium acetate, 0.1M Tris, 5% ethylene glycol , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, magnesium acetate, 0.1M Tris, 5% ethylene glycol , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K