3L89

Human Adenovirus type 21 knob in complex with domains SCR1 and SCR2 of CD46 (membrane cofactor protein, MCP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	P 1
Unit cell lengths	94.530, 107.710, 154.100
Unit cell angles	90.01, 90.10, 104.70

Refinement procedure

Resolution	47.991 - 3.500
R-factor	0.2055
Rwork	0.204
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ad21 fiber knob model PDB ENTRY 2O39: CD46 SCR1-SCR2
RMSD bond length	0.005
RMSD bond angle	0.827
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.6_288)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	3.620
High resolution limit [Å]	3.500	3.500
Rmerge	0.179	0.355
Number of reflections	71365
<I/σ(I)>	8.9	3.6
Completeness [%]	96.2	74.9
Redundancy	3.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	6% PEG 8000, 0.1M LiCl, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K