9LQ0

Crystal structure of choline dehydrogenase BetA from Pseudomonas denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	75.410, 170.870, 48.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.720 - 1.800
R-factor	0.2111
Rwork	0.209
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.687
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.720	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.143	1.349
Rmeas	0.149	1.414
Rpim	0.043	0.417
Total number of observations	698014	37197
Number of reflections	57809	3349
<I/σ(I)>	11.3	2
Completeness [%]	98.3
Redundancy	12.1	11.1
CC(1/2)	0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1 M sodium citrate, pH 5.0, 10% PEG 6000