9S7K

INCYPRO crosslinked dimer of the D-stereospecific hydrolase dHy1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	53.776, 53.764, 57.373
Unit cell angles	75.69, 75.69, 87.81

Refinement procedure

Resolution	43.115 - 1.771
Rwork	0.240
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.886
Data reduction software	XDS (20250714)
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.115	1.967
High resolution limit [Å]	1.771	1.771
Rpim	0.034	0.509
Number of reflections	35659	1783
<I/σ(I)>	11.8	1.4
Completeness [%]	91.8	56.7
Redundancy	6.9	6.6
CC(1/2)	0.999	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	100 mM MES/Imidazole pH 7, 13 %(v/v) PEG-20000, 26 %(w/v) PEG550-MME, 0.1 M Morpheus Carboxylic Acids