5IB3

Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Copper

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-10
Detector	RAYONIX MX225HE
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	51.295, 82.129, 65.362
Unit cell angles	90.00, 107.56, 90.00

Refinement procedure

Resolution	30.829 - 1.910
R-factor	0.1712
Rwork	0.170
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1of2
RMSD bond length	0.015
RMSD bond angle	1.313
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.020
High resolution limit [Å]	1.910	1.910
Number of reflections	71965
<I/σ(I)>	15.33	3.61
Completeness [%]	90.9	77.6
Redundancy	1.6	1.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M Tris HCl, 16% (w/v) PEG 8000