4NEE

crystal structure of AP-2 alpha/simga2 complex bound to HIV-1 Nef

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2013-07-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	109.558, 168.034, 200.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.880 - 2.884
R-factor	0.2218
Rwork	0.219
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rea
RMSD bond length	0.015
RMSD bond angle	1.159
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.884	2.884
Rmerge	0.184
Number of reflections	80188
Completeness [%]	95.7	80.2
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	288	70mM CHES pH 9.5, 140mM NaCl, 7% PEG8000, 21% glycerol, 0.2mM inositol hexakisphosphate (IP6), VAPOR DIFFUSION, SITTING DROP, temperature 288K