8IS4

Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	68.388, 107.986, 120.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.670 - 1.900
R-factor	0.1564
Rwork	0.155
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.144	1.044
Rmeas	0.150	1.086
Rpim	0.041	0.298
Number of reflections	71085	10243
<I/σ(I)>	13.8	2.8
Completeness [%]	100.0	100
Redundancy	13.1	13.2
CC(1/2)	0.998	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Lithium sulfate monohydrate, 0.1 M Bis-Tris, pH 6.5, 25% w/v Polyethylene glycol 3,350