7TU4

Structure of the L. blandensis dGTPase del55-58 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	2019-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	181.397, 181.397, 110.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.560 - 2.260
R-factor	0.1984
Rwork	0.198
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bg2
RMSD bond length	0.009
RMSD bond angle	1.042
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]	40.560	2.390
High resolution limit [Å]	2.260	2.260
Rmerge	0.161	1.037
Rmeas	0.169	1.092
Number of reflections	86058	13304
<I/σ(I)>	7.56	1.02
Completeness [%]	99.3	96.5
Redundancy	11	10.1
CC(1/2)	0.995	0.782

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