6U6X

Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97923
Spacegroup name	P 1
Unit cell lengths	69.360, 81.870, 106.000
Unit cell angles	69.72, 76.30, 82.77

Refinement procedure

Resolution	61.660 - 2.580
R-factor	0.197
Rwork	0.196
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u1n
RMSD bond length	0.017
RMSD bond angle	1.193
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.660	2.650
High resolution limit [Å]	2.580	2.580
Rmerge	0.050	0.971
Rpim	0.035	0.684
Number of reflections	65305	4856
<I/σ(I)>	12.3	1.2
Completeness [%]	97.8	97.9
Redundancy	2.9	3
CC(1/2)	0.999	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium tartrate dibasic, 20% polyethylene glycol 3350