4TNQ

Structural basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dTTP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-19
Detector	PSI PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	81.159, 140.292, 97.268
Unit cell angles	90.00, 114.56, 90.00

Refinement procedure

Resolution	50.000 - 2.550
R-factor	0.1631
Rwork	0.161
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.013
RMSD bond angle	1.574
Data reduction software	HKL-2000
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.089	0.055	0.383
Total number of observations	277014
Number of reflections	61164
<I/σ(I)>	10.6
Completeness [%]	95.4	99.2	72.5
Redundancy	4.5	4.7	3.7

Crystallization Conditions

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