8IS5

Structure of an Isocytosine specific deaminase Vcz with close state

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	2022-09-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	68.592, 107.630, 120.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.100
R-factor	0.1614
Rwork	0.160
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.210
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]	30.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	0.976
Rmeas	0.109	1.014
Rpim	0.030	0.275
Number of reflections	53026	7634
<I/σ(I)>	19.6	3
Completeness [%]	100.0	100
Redundancy	13.1	13.4
CC(1/2)	0.999	0.857

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.