27JY

Crystal structure of Cysteine-dependent hydrolase (CsdH) from Rhodococcus opacus in complex with Phthalate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-05-06
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 21
Unit cell lengths	62.285, 136.510, 188.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.540 - 2.900
Rwork	0.192
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.006
RMSD bond angle	1.499
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.540	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	18141	1773
<I/σ(I)>	22.19
Completeness [%]	99.3
Redundancy	6.6
CC(1/2)	0.994	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.1M sodium fluoride pH 7.4 20%PEG 3350