7A5Y

Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	80.193, 181.263, 286.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	153.150 - 2.290
R-factor	0.2117
Rwork	0.210
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tx0
RMSD bond length	0.018
RMSD bond angle	1.915
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	153.150	153.200	2.450
High resolution limit [Å]	2.290	6.920	2.290
Rmerge	0.265	0.083	1.536
Rmeas	0.287	0.091	1.668
Rpim	0.110	0.035	0.646
Number of reflections	145900	7294	7295
<I/σ(I)>	6.3	16.1	1.6
Completeness [%]	92.6	99.8	57.6
Redundancy	6.7	6.4	6.5
CC(1/2)	0.989	0.995	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M Bistris methane-HCl pH 6, 15% (w/v) PEG 3350, 0.15 M Li2SO4