6TY7

Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	55.930, 75.650, 143.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.950 - 1.500
R-factor	0.1706
Rwork	0.169
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hzg
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.650	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.082
Number of reflections	96088	5749
<I/σ(I)>	11.8
Completeness [%]	97.8	81.2
Redundancy	5.9	3.4
CC(1/2)	0.998	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292.15	PEG 20000, PEG MME 550, sodium nitrate, disodium hydrogenphosphate, ammonium sulphate, MES, imidazole