7LWZ

Apo Structure of Vibrio cholerae dGTPase protein VC1979

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	105.003, 161.869, 184.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.860 - 2.320
R-factor	0.22
Rwork	0.218
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pgs
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.860	2.460
High resolution limit [Å]	2.320	2.320
Rmeas	0.088	1.640
Number of reflections	270862	42766
<I/σ(I)>	11.15	1.06
Completeness [%]	99.3	98.3
Redundancy	5.7	5.7
CC(1/2)	0.997	0.481

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	Protein solution (15mg/mL dGTPase, 50mM Tris pH 7.9, 100mM NaCl, 10% glycerol) mixed 1:1 with well solution (0.95M NaCl, 7mM NiCl2, 0.06M Na Acetate). Cryo condition was well solution with 30% ethylene glycol added.