8CLQ

Zearalenone lactonase of Streptomyces coelicoflavus mutant H286Y in complex with hydrolyzed zearalenone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	65.809, 129.867, 134.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.770 - 1.530
R-factor	0.1978
Rwork	0.198
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4489)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.770	1.585
High resolution limit [Å]	1.530	1.530
Rmerge	0.204	4.244
Rmeas	0.222	4.664
Rpim	0.086	1.902
Number of reflections	174008	17042
<I/σ(I)>	7.01	0.37
Completeness [%]	98.3	85.93
Redundancy	6.6	5.8
CC(1/2)	0.997	0.071

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	0.1 M Mg formate dihydrate 10.09% PEG 3350 (pH 6.9)