9JP5

Phthalate 3,4-dioxygenase from Rhodococcus jostii RHA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 63
Unit cell lengths	194.599, 194.599, 157.287
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.462 - 2.880
Rwork	0.247
R-free	0.30610
Structure solution method	MOLECULAR REPLACEMENT
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]	27.950	2.940
High resolution limit [Å]	2.880	2.880
Number of reflections	76319	4521
<I/σ(I)>	7.1
Completeness [%]	99.8
Redundancy	13.9
CC(1/2)	0.979	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	300	0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% v/v (+/-)-2-Methyl-2,4-pentanediol.