3IOZ

SIVmac239 Nef in complex with a TCR zeta polypeptide DP1 (L51-D93)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Detector technology	CCD
Collection date	2008-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.290
Spacegroup name	P 43 21 2
Unit cell lengths	51.638, 51.638, 189.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.854 - 3.699
R-factor	0.302
Rwork	0.301
R-free	0.32900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.830
High resolution limit [Å]	3.700	7.960	3.700
Rmerge	0.051	0.030	0.393
Number of reflections	3122
<I/σ(I)>	12.8
Completeness [%]	99.4	95.1	100
Redundancy	12.6	10.8	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	15% PEG 3350, 0.15M KF, 0.1M hepes, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K