6U6Z

Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 1
Unit cell lengths	81.610, 94.670, 96.320
Unit cell angles	72.90, 70.95, 64.96

Refinement procedure

Resolution	68.270 - 2.100
R-factor	0.1752
Rwork	0.174
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u6x
RMSD bond length	0.009
RMSD bond angle	0.913
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.270	2.300	2.150
High resolution limit [Å]	2.100	2.240	2.100
Rmerge	0.060	1.341	0.899
Rpim	0.036	0.536	0.534
Number of reflections	131847	7768	9840
<I/σ(I)>	10.5	1.3	1.4
Completeness [%]	93.0	89.5	93.8
Redundancy	3.7	7	3.7
CC(1/2)	0.998	0.648	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.26 M sodium malonate, 20% polyethylene glycol 3350, 0.1 M bis-Tris propane pH 8.5
1	VAPOR DIFFUSION, SITTING DROP		295	0.26 M sodium malonate, 20% polyethylene glycol 3350, 0.1 M bis-Tris propane pH 8.5