6VQD

HLA-B*27:05 presenting an HIV-1 8mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	105
Detector technology	CCD
Collection date	2011-01-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	50.871, 82.709, 108.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.355 - 1.880
R-factor	0.1738
Rwork	0.172
R-free	0.20590
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]	65.809	50.871	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.043	0.894
Rmeas	0.133	0.045	0.927
Rpim	0.035	0.012	0.243
Total number of observations	569927	18549	83339
Number of reflections	39989	1417	5758
<I/σ(I)>	15.1	34.4	3
Completeness [%]	100.0	99.9	100
Redundancy	14.3	13.1	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	277	20 %w/v Polyethylene Glycol 3350, 0.2 M Potassium di-Hydrogen Phosphate