7BPC

Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA

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	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	76.769, 129.739, 140.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 2.450
R-factor	0.1957
Rwork	0.193
R-free	0.24720
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	2.540
High resolution limit [Å]	2.450	5.260	2.450
Rmerge	0.182	0.107	0.804
Rmeas	0.196	0.115	0.873
Rpim	0.069	0.040	0.337
Total number of observations	409878
Number of reflections	53445	5633	5257
<I/σ(I)>	5.3
Completeness [%]	99.9	99.9	100
Redundancy	7.7	8.3	6.5
CC(1/2)		0.989	0.787

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