8I3N

crystal structure of yeast cytosine deaminase mutant yCD-RQ

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 EIGER X 9M
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	61.669, 64.470, 83.092
Unit cell angles	90.00, 97.97, 90.00

Refinement procedure

Resolution	82.290 - 1.730
R-factor	0.2032
Rwork	0.203
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.609
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]	82.290	1.820
High resolution limit [Å]	1.730	1.730
Rmerge	0.070	0.480
Rmeas	0.083	0.597
Rpim	0.043	0.350
Total number of observations		25357
Number of reflections	65362	9660
<I/σ(I)>	11.5	2.5
Completeness [%]	96.9
Redundancy	3.5	2.6
CC(1/2)	0.996	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.15M ammounium acetate, 27%-29% PEG3350