8VLM

Crystal structure of the yeast cytosine deaminase (yCD) E64V-M100W heterodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.18049
Spacegroup name	P 21 21 21
Unit cell lengths	54.809, 112.090, 116.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.360 - 2.670
R-factor	0.1952
Rwork	0.193
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.615
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.800
High resolution limit [Å]	2.670	2.670
Rmerge	0.129	0.755
Rmeas	0.145	0.843
Rpim	0.064	0.369
Total number of observations	103453	13570
Number of reflections	21119	2753
<I/σ(I)>	7.6	2
Completeness [%]	100.0
Redundancy	4.9	4.9
CC(1/2)	0.991	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	295	0.1 M HEPES pH 7, 10%(w/v) PEG 4000, 10% (v/v) Isopropanol, cryoprotected by the reservoir solution supplemented with 15% ethylene glycol