6VQZ

HLA-B*27:05 presenting an HIV-1 6mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	105
Detector technology	PIXEL
Collection date	2012-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	45.495, 130.516, 90.170
Unit cell angles	90.00, 104.41, 90.00

Refinement procedure

Resolution	87.333 - 2.250
R-factor	0.2037
Rwork	0.201
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w0v
RMSD bond length	0.004
RMSD bond angle	0.786
Data reduction software	xia2
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	130.490	130.490	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge	0.090	0.029	0.409
Number of reflections	47317	1558	6830
<I/σ(I)>	6.7	13.7	2.3
Completeness [%]	98.1	98.6	97.1
Redundancy	2.5	2.5	2.6
CC(1/2)	0.992	0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	30 %w/v Polyethylene Glycol Monomethyl Ether 5000, 0.2 M Ammonium Sulphate, 0.1 M MES pH 6.5