9M5F

zearalenone degrading enzyme with a-zearalenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	73.790, 73.790, 95.302
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.200 - 2.350
R-factor	0.1905
Rwork	0.188
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l7m
RMSD bond length	0.008
RMSD bond angle	0.937
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.960	2.300
High resolution limit [Å]	2.240	2.240
Rmerge	0.127	1.983
Rmeas	0.131	2.054
Rpim	0.030	0.521
Total number of observations	274187	13993
Number of reflections	10730	961
<I/σ(I)>	19.7	1.5
Completeness [%]	98.8
Redundancy	18.6	14.6
CC(1/2)	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	281	0.1 M Magnesium chloride, 0.05 M Tris-HCl pH 8.5, 30% PEG 550 MME