7WW2

Structure of an Isocytosine specific deaminase Vcz

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	68.442, 107.523, 120.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.760 - 2.700
R-factor	0.185
Rwork	0.182
R-free	0.24170
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.149	0.534
Rmeas	0.162	0.576
Rpim	0.062	0.214
Number of reflections	25076	3613
<I/σ(I)>	18.6	6.8
Completeness [%]	99.8	100
Redundancy	12.7	13.6
CC(1/2)	0.996	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3,350