4Z8L

Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 31
Unit cell lengths	74.490, 74.490, 178.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.695 - 2.600
R-factor	0.2015
Rwork	0.199
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cc9 2e8o
RMSD bond length	0.007
RMSD bond angle	1.428
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	2.720
High resolution limit [Å]	2.600	2.600
Rmerge		1.818
Rpim		0.782
Number of reflections	33447
<I/σ(I)>	12.7	1.4
Completeness [%]	98.3
Redundancy	9.1	6.2
CC(1/2)		0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.6 M NaH2PO4, 0.4 M K2HPO4, 0.1 M Sodium Phosphate/Citrate buffer, pH 4.2