26ZA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-27
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 21
Unit cell lengths	62.708, 137.450, 190.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.542 - 2.800
Rwork	0.242
R-free	0.28360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	1.715
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]	28.542	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	20682	2038
<I/σ(I)>	38.3
Completeness [%]	99.6
Redundancy	20.9
CC(1/2)	0.994	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M sodium malonate pH7.0 20% PEG 3350