7ASZ

L-2-haloacid dehalogenase H190A mutant 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	2019-07-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980116
Spacegroup name	P 21 21 21
Unit cell lengths	59.716, 71.655, 116.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.660 - 1.880
R-factor	0.1696
Rwork	0.168
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7arp
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.874	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.080	0.872
Rmeas	0.083	0.908
Rpim	0.023	0.252
Number of reflections	41318	2628
<I/σ(I)>	21.6	3.5
Completeness [%]	100.0	100
Redundancy	13	13.1
CC(1/2)	0.999	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	31% PEG 3350, 0.2 M potassium thiocyanate