7TU2

Structure of the L. blandensis dGTPase R37A mutant bound to Mn

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	2019-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	179.934, 179.934, 110.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.220 - 2.130
R-factor	0.2046
Rwork	0.204
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bg2
RMSD bond length	0.008
RMSD bond angle	1.021
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]	40.000	2.250
High resolution limit [Å]	2.130	2.130
Rmerge	0.118	1.763
Rmeas	0.100	1.869
Number of reflections	102014	16196
<I/σ(I)>	9.96	1.15
Completeness [%]	99.7	99.1
Redundancy	9.4	8.9
CC(1/2)	0.997	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Crystal grown in 1ul:1ul drops of well solution (0.6M Sodium Potassium Tartrate, 0.2M Lithium Sulfate, 0.1M Bis-Tris pH 6.5) and 10mg/mL protein. Cryoprotected by soaking in well solution with 30% ethylene glycol and 10mM MnCl2 added