7ARP

Native L-2-haloacid dehalogenase from Zobellia galactanivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97986
Spacegroup name	P 21 21 21
Unit cell lengths	59.535, 68.826, 103.742
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.027 - 1.780
R-factor	0.1564
Rwork	0.155
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yml
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.030	45.030	1.820
High resolution limit [Å]	1.780	9.080	1.780
Rmerge	0.098	0.056	0.745
Rmeas	0.102	0.059	0.774
Rpim	0.028	0.017	0.208
Number of reflections	41657	380	2364
<I/σ(I)>	15.2		1.1
Completeness [%]	100.0	99.4	100
Redundancy	13.5	11	13.7
CC(1/2)	0.998	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	31% PEG 3350, 0.33 M potassium thiocyanate