8YF3

DNA cytosine C5-carboxymethyltransferase in complex with Cx-SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	40.261, 42.131, 98.003
Unit cell angles	90.00, 96.05, 90.00

Refinement procedure

Resolution	48.730 - 1.900
R-factor	0.2176
Rwork	0.215
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.242	2.275
Rmeas	0.265	2.554
Rpim	0.106	1.136
Total number of observations	159146	19275
Number of reflections	25592	3811
<I/σ(I)>	5.3	0.8
Completeness [%]	97.3
Redundancy	6.2	5.1
CC(1/2)	0.990	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M BICINE, 20% (w/v) PEG 6000, 1 mM S-adenosyl-S-carboxymethyl-L-homocysteine (Cx-SAM)