5LKA

Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	46.867, 68.362, 80.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.522 - 1.298
R-factor	0.1396
Rwork	0.139
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wdr
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	XDS (November 3, 2014)
Data scaling software	XDS (November 3, 2014)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.870	1.380
High resolution limit [Å]	1.298	1.298
Rmerge	0.083	0.506
Number of reflections	64480
<I/σ(I)>	16.45	3.5
Completeness [%]	99.6	98.7
Redundancy	6.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium thiocyanate, 20 % (w/v) PEG 3350.