8HVQ

Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	36.947, 121.387, 134.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.860 - 1.730
R-factor	0.15328
Rwork	0.151
R-free	0.19931
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.581
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.860	1.760
High resolution limit [Å]	1.730	1.730
Number of reflections	62991	3498
<I/σ(I)>	9.3
Completeness [%]	98.6
Redundancy	1.8
CC(1/2)	0.997	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M sodium formate, 0.2M ammonium acetate, 0.2M sodium citrate tribasic dihydrate, 0.2M sodium potassium tartrate tetrahydrate, 0.2M sodium oxamate, 10% w/v PEG 4000, 20% v/v glycerol, 0.1M MES/imidazole pH 6.5