1CV2

Hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-18
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	50.264, 71.669, 72.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.580
R-factor	0.1491
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bn6
RMSD bond length	0.009
RMSD bond angle	2.300 *
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.600
High resolution limit [Å]	1.580 *	1.575
Rmerge	0.065	0.146
Number of reflections	34513 *
<I/σ(I)>	18.31	5.98
Completeness [%]	94.2	81.4
Redundancy	4.84	2.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	278	microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	18-20 (%(w/v))
2	1	reservoir	calcium acetate	0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)