4U5W

Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains

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	2012-03-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	56.489, 57.265, 72.111
Unit cell angles	112.28, 96.09, 106.00

Refinement procedure

Resolution	26.377 - 1.860
R-factor	0.1699
Rwork	0.169
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nhn 3rbb
RMSD bond length	0.004
RMSD bond angle	0.803
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.860	1.860
Rmerge		0.768
Number of reflections	64501
<I/σ(I)>	13.1	2.59
Completeness [%]	97.8	96.4
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.09 M ADA, pH 6.5, 10.8% (v/v) 2-methyl-2,4-pentanediol, 100 mM NaI