6OIX

Structure of Escherichia coli dGTPase bound to GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9798
Spacegroup name	P 43 21 2
Unit cell lengths	191.587, 191.587, 292.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.750 - 3.150
R-factor	0.191
Rwork	0.190
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.230
High resolution limit [Å]	3.150	3.150
Rmerge	0.337	3.020
Rpim	0.122	0.941
Number of reflections	87450	3646
<I/σ(I)>	7.5	0.9
Completeness [%]	99.8	54.3
Redundancy	6.4	2.2
CC(1/2)	0.998	0.401

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.1 M Tris-HCl pH 8.0 and 1.6 M Ammonium Sulfate