6Y9G

Crystal structure of putative ancestral haloalkane dehalogenase AncHLD5 (node 5)

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 1 21 1
Unit cell lengths	63.871, 51.365, 78.419
Unit cell angles	90.00, 94.07, 90.00

Refinement procedure

Resolution	39.988 - 1.748
R-factor	0.1847
Rwork	0.183
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k2a
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]	47.060	1.780
High resolution limit [Å]	1.748	1.750
Number of reflections	50947	2588
<I/σ(I)>	13.5
Completeness [%]	98.8
Redundancy	3.3
CC(1/2)	0.998	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	PEG 8000, magnesium chloride, Tris base