4Q7H

Crystal structure of SAMHD1 catalytic core with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-01
Detector	MAR555 FLAT PANEL
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	80.943, 142.765, 199.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.572 - 2.587
R-factor	0.1922
Rwork	0.191
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.167
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.587	2.600
Number of reflections	68937
Completeness [%]	95.1	92.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.2M Lithium citrate tribasic tetrahydrate, 24% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K