4ZWE

Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant

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	2015-02-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	89.083, 146.091, 98.463
Unit cell angles	90.00, 115.03, 90.00

Refinement procedure

Resolution	50.000 - 2.810
R-factor	0.2101
Rwork	0.208
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzb
RMSD bond length	0.011
RMSD bond angle	1.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.194	0.081
Rmeas	0.199	0.088
Rpim	0.099	0.033	0.736
Total number of observations	379452
Number of reflections	54764
<I/σ(I)>	3.2
Completeness [%]	98.7	98	99.7
Redundancy	6.9	6.9	7.1
CC(1/2)		0.994	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.4	298	SPG buffer, PEG 1500