9FEI

Crystal structure of protein D: defoliating toxin form Fusarium oxysporum f.sp. vasinfectum

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	CCD
Collection date	2022-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9918
Spacegroup name	P 1 21 1
Unit cell lengths	27.843, 50.031, 72.277
Unit cell angles	90.00, 98.91, 90.00

Refinement procedure

Resolution	71.400 - 1.470
R-factor	0.16269
Rwork	0.161
R-free	0.18771
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.760
Data reduction software	XDS (BUILT 20220110)
Data scaling software	Aimless (0.7.7)
Phasing software	CRANK2 (2.0.315)
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.400	1.500
High resolution limit [Å]	1.470	1.475
Rmerge	0.083	0.734
Number of reflections	33146	1619
<I/σ(I)>	12.5	2.2
Completeness [%]	99.9	100
Redundancy	6.6
CC(1/2)	0.993	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1M Hepes pH=7.5 1.4 M sodium citrate Tribasic Dihydrate Protein concentration= 7. 6mg/ml Soaking with HgCl2 over night