9JP7

4,5-dihydroxyphthalate decarboxylase from Comamonas testosteroni (strain DSM 14576 / KF-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-29
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	128.045, 270.201, 113.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.221 - 3.050
Rwork	0.264
R-free	0.33520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.496
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.440	3.190
High resolution limit [Å]	3.050	3.050
Number of reflections	37226	4585
<I/σ(I)>	6.3
Completeness [%]	98.3
Redundancy	4.8
CC(1/2)	0.978	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	300	0.2 M Sodium malonate pH 5.0, 20% w/v Polyethylene glycol 3,350.