9GKX

Crystal Structure of Rhizorhabdus wittichii Dimethoate hydrolase (DmhA) in complex with SAHA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	C 1 2 1
Unit cell lengths	132.120, 144.960, 92.660
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	46.310 - 1.750
R-factor	0.1629
Rwork	0.163
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (Jun 30, 2023 BUILT=20230630)
Data scaling software	XDS (Jun 30, 2023 BUILT=20230630)
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.750	1.750
Rmeas	0.229
Number of reflections	174428	28058
<I/σ(I)>	7.68
Completeness [%]	99.7	99.6
Redundancy	6.9
CC(1/2)	0.994	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.2 M Potassium fluoride pH 7.3 20% (w/v) PEG3350