7LU5

SAMHD1(113-626) H206R D207N R366H

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	PIXEL
Collection date	2020-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	83.730, 573.482, 100.501
Unit cell angles	90.00, 114.72, 90.00

Refinement procedure

Resolution	49.270 - 3.570
R-factor	0.2375
Rwork	0.236
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.007
RMSD bond angle	1.288
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.660
High resolution limit [Å]	3.570	9.750	3.600
Rmerge	0.143	0.098	1.336
Rmeas	0.158	0.106	1.477
Rpim	0.064	0.039	0.611
Number of reflections	84897	5002	4131
<I/σ(I)>	5.4
Completeness [%]	85.6	99.5	83.1
Redundancy	5.1	7	4.8
CC(1/2)		0.988	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9	293	PEG 1500, dGTP, SPG buffer, sodium chloride, magnesium chloride