6DWJ

SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92014
Spacegroup name	P 1 21 1
Unit cell lengths	86.862, 146.724, 99.594
Unit cell angles	90.00, 114.45, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.17701
Rwork	0.175
R-free	0.20792
RMSD bond length	0.019
RMSD bond angle	2.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.107	0.737
Number of reflections	75598	3796
<I/σ(I)>	10
Completeness [%]	97.4	97.1
Redundancy	3.5	3.3
CC(1/2)	0.989	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500