3REA

HIV-1 Nef protein in complex with engineered Hck-SH3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	65.692, 65.692, 279.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.16989
Rwork	0.168
R-free	0.20544
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1efn
RMSD bond length	0.026
RMSD bond angle	1.823
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.5.0102)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.770	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	40486
<I/σ(I)>	18.2
Completeness [%]	99.5	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	285	100 mM Tris buffer, 5% ethylne glycol, 10% PEG 8000, 0.2 M MgCl2, 15 mM MnCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K