6TXC

Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	99.113, 175.239, 277.269
Unit cell angles	90.00, 94.81, 90.00

Refinement procedure

Resolution	276.291 - 2.840
R-factor	0.229
Rwork	0.228
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6txa
RMSD bond length	0.013
RMSD bond angle	1.702
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]	276.291	276.291	3.100
High resolution limit [Å]	2.840	8.612	2.840
Rmerge	0.169	0.035	0.885
Rmeas	0.195	0.041	1.016
Rpim	0.097	0.021	0.494
Number of reflections	161935	8097	8099
<I/σ(I)>	7.1	23.9	1.5
Completeness [%]	93.7	99.1	53.8
Redundancy	3.9	3.7	4.1
CC(1/2)	0.991	0.998	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M Bistris methane-HCL pH 6, 17% (w/v) PEG 3350, 0.15 M Li2SO4.