2BFN

The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-03
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	50.571, 72.142, 73.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.550 - 1.600
R-factor	0.15
Rwork	0.149
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cv2
RMSD bond length	0.012
RMSD bond angle	1.478
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.170
Number of reflections	36132
Completeness [%]	99.8	99.5
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1