7NFZ

Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.496, 65.448, 90.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.718 - 1.551
R-factor	0.1656
Rwork	0.164
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mj5
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.090	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.193	1.907
Number of reflections	44672	2129
<I/σ(I)>	11.1	1.4
Completeness [%]	99.5	97.2
Redundancy	13.5
CC(1/2)	0.998	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	293.15	sodium di-hydrogen phosphate, di-potassium hydrogen phosphate, lithium sulphate, CAPS