9UGM

Crystal structure of FAD containing choline oxidase mutant from Arthrobacter chlorophenolicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	92.920, 92.920, 344.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.220 - 2.470
R-factor	0.1936
Rwork	0.191
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.700	2.530
High resolution limit [Å]	2.470	2.470
Rmerge	0.216	2.761
Rmeas	0.221	2.816
Rpim	0.043	0.550
Number of reflections	55443	4028
<I/σ(I)>	13.3
Completeness [%]	99.9
Redundancy	25.8	25.7
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium salt trihydrate, 0.1 M TRIS hydrochloride pH 8.0, 30% PEG 4000