6M53

Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-26
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	77.625, 132.246, 140.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 1.550
R-factor	0.1867
Rwork	0.186
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.038	0.020	0.493
Rmeas	0.044	0.023	0.575
Rpim	0.022	0.011	0.291
Total number of observations	796743
Number of reflections	207763	21091	20288
<I/σ(I)>	16.2
Completeness [%]	99.0	97	97.8
Redundancy	3.8	3.9	3.7
CC(1/2)		0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 mol/L tri-potassium citrate, 20% (w/v) PEG 3350 and 10% (v/v) glycerol