6VPZ

HLA-B*27:05 presenting an HIV-1 11mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	105
Detector technology	CCD
Collection date	2010-07-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	51.250, 83.070, 110.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.320 - 2.100
R-factor	0.1926
Rwork	0.190
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w0v
RMSD bond length	0.014
RMSD bond angle	1.230
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.320	66.320	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.054	0.803
Rmeas	0.222	0.060	0.866
Rpim	0.083	0.024	0.322
Number of reflections	28236	1013	4054
<I/σ(I)>	8.4	6.5	0.9
Completeness [%]	100.0	99.9	100
Redundancy	7.1	6.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	20 %w/v Polyethylene Glycol 3350, 0.2 M Ammonium Chloride