26QV

Crystal structure of monoalkyl phthalate hydrolase from Rhodococcus sp. EG-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-25
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 2
Unit cell lengths	177.612, 245.492, 191.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.380 - 3.000
Rwork	0.251
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.438
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]	27.380	3.107
High resolution limit [Å]	3.000	3.000
Number of reflections	83596	8278
<I/σ(I)>	11.23
Completeness [%]	99.7
Redundancy	11.23
CC(1/2)	0.947	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M SODIUM MALONATE PH 7.0, 0.01M BARIUM CHLORIDE DI HYDRATE, 20% PEG 3350