1LP3

The Atomic Structure of Adeno-Associated Virus (AAV-2), a Vector for Human Gene Therapy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-04-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92
Spacegroup name	P 1
Unit cell lengths	249.690, 249.690, 644.760
Unit cell angles	90.00, 101.16, 120.00

Refinement procedure

Resolution	39.800 - 3.000
R-factor	0.338
Rwork	0.338
R-free	0.34200
Structure solution method	Molecular replacement at 15A, then phase extension by symmetry averaging
Starting model (for MR)	PDB entries 4dpv 1dnv
RMSD bond length	0.020
RMSD bond angle	26.680 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	3.560
High resolution limit [Å]	3.000	3.000 *
Rmerge	0.156	0.309
Total number of observations	747988 *
Number of reflections	495356 *
<I/σ(I)>	6.3	5.9
Completeness [%]	56.0	80 *
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	295	PEG 6000, magnesium chloride, hepes, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.5 (mg/ml)
2	1	drop	glycerol	25 (%)
3	1	reservoir	PEG6000	4-5 (%)