8CLN

Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 31 2 1
Unit cell lengths	75.386, 75.386, 404.619
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.910 - 2.500
R-factor	0.1853
Rwork	0.183
R-free	0.23220
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CRANK2
Refinement software	PHENIX (1.20.1-4489)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.723
Rmeas	0.123	0.743
Rpim	0.028	0.170
Number of reflections	47746	4683
<I/σ(I)>	20.75	4.86
Completeness [%]	99.9	99.98
Redundancy	19.2	18.9
CC(1/2)	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295.15	0.02M CaCl2, 0.1M NaAcetate 4.6, 30% MPD