8CLU

Zearalenone lactonase from Rhodococcus erythropolis in complex with zearalactamenone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976250
Spacegroup name	C 2 2 21
Unit cell lengths	64.556, 121.840, 172.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.590 - 1.800
R-factor	0.1667
Rwork	0.165
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.126
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.158	3.112
Rmeas	0.171	3.362
Rpim	0.065	1.260
Number of reflections	63294	6223
<I/σ(I)>	8.87	0.5
Completeness [%]	99.8	99.42
Redundancy	6.7	6.9
CC(1/2)	0.998	0.231

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295.15	0.2 M NaCl, 0.1 M BIS-TRIS 5.5 pH, 25% w/v PEG 3350