4TO6

Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dTTP/dGTP 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	82.587, 140.808, 96.900
Unit cell angles	90.00, 114.94, 90.00

Refinement procedure

Resolution	50.000 - 2.330
R-factor	0.2257
Rwork	0.225
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.011
RMSD bond angle	1.429
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	2.390
High resolution limit [Å]	2.330	6.370	2.350
Rmerge	0.155	0.096
Total number of observations	758969
Number of reflections	85312
<I/σ(I)>	7.3
Completeness [%]	100.0	100	100
Redundancy	8.9	9.1	7.9

Crystallization Conditions

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