3IK5

SIVmac239 Nef in complex with TCR zeta ITAM 1 polypeptide (A63-R80)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Detector technology	CCD
Collection date	2009-02-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.089
Spacegroup name	P 21 21 21
Unit cell lengths	47.417, 47.421, 183.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.071 - 2.050
R-factor	0.171
Rwork	0.170
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.564
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (2009_02_15_2320_3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.120
High resolution limit [Å]	2.050	4.410	2.050
Rmerge	0.084	0.049	0.498
Number of reflections	26719
<I/σ(I)>	9.6
Completeness [%]	99.1	96.6	96.5
Redundancy	6.8	6.4	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	15% PEG 3350, 0.2mM ammonmium fluoride, 0.1mM hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K