4TO2

Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex

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	2013-10-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	85.313, 145.798, 98.257
Unit cell angles	90.00, 114.22, 90.00

Refinement procedure

Resolution	50.000 - 2.270
R-factor	0.2074
Rwork	0.206
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.014
RMSD bond angle	1.546
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.270	6.190	2.280
Rmerge	0.142	0.068	0.893
Total number of observations	489251
Number of reflections	99828
<I/σ(I)>	8.9		1
Completeness [%]	99.9	99.4	99.9
Redundancy	4.9	5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	SPG buffer, PEG 1500