4LIY

Structure of the adenovirus 3 knob domain K217E and F224S mutant

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	2013-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97239
Spacegroup name	P 32 2 1
Unit cell lengths	96.663, 96.663, 156.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.332 - 2.100
R-factor	0.1772
Rwork	0.176
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h7z
RMSD bond length	0.012
RMSD bond angle	1.306
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1391))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.332	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.632
Number of reflections	49786
<I/σ(I)>	11.46	1.79
Completeness [%]	99.6	98.6
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	288	1.65M MgSO4, 0.1M TAPS, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 288K