7QNM

Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium 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	2019-10-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980114
Spacegroup name	P 1 21 1
Unit cell lengths	76.165, 132.789, 275.698
Unit cell angles	90.00, 92.31, 90.00

Refinement procedure

Resolution	49.510 - 2.730
R-factor	0.20881
Rwork	0.206
R-free	0.25434
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7asz
RMSD bond length	0.009
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	2.800
High resolution limit [Å]	2.730	2.750
Rmeas	0.143	1.475
Rpim	0.054	0.780
Number of reflections	144327	36555
<I/σ(I)>	5	1
Completeness [%]	99.1	83.7
Redundancy	6.9	6.2
CC(1/2)	0.998	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	25% (w/v) PEG3350, 0.1 M Tris-HCl pH 8.5 and 0.2 M NaCl