6VQ2

HLA-B*27:05 presenting an HIV-1 14mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	105
Detector technology	PIXEL
Collection date	2012-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	51.287, 82.813, 110.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.287 - 2.250
R-factor	0.1776
Rwork	0.175
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w0v
Data reduction software	xia2
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.284	55.287	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge		0.110	1.891
Rmeas	0.458	0.117	1.974
Rpim	0.129	0.037	0.561
Total number of observations	286507	9079	40485
Number of reflections	23098	837	3309
<I/σ(I)>	7.8	12.3	3.8
Completeness [%]	100.0	99.8	100
Redundancy	12.4	10.8	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 %w/v Polyethylene Glycol 8000, 0.05 M Potassium di-Hydrogen Phosphate