3WL9

HLA-A24 in complex with HIV-1 Nef126-10(8I10F)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-10
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	66.576, 78.414, 87.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.660
R-factor	0.1772
Rwork	0.175
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vz4
RMSD bond length	0.007
RMSD bond angle	1.064
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.720
High resolution limit [Å]	1.660	3.580	1.660
Rmerge		0.050	0.425
Number of reflections	54184
<I/σ(I)>	10.7
Completeness [%]	99.1	99.2	97.5
Redundancy	5.4	6.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20%(w/v) PEG3350, 200mM sodium nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K