8I3O

crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH

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	2021-11-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	61.319, 64.273, 83.092
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	34.670 - 2.000
R-factor	0.1757
Rwork	0.174
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1-2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.770	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.096	0.875
Rmeas	0.105	0.951
Rpim	0.042	0.370
Total number of observations	479992	72568
Number of reflections	41979	11096
<I/σ(I)>	10	2.3
Completeness [%]	97.1
Redundancy	6.3	6.5
CC(1/2)	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.15M ammounium acetate, 25%-29% PEG3350