6Y2B

Crystal structure of HLA-B2709 complexed with the nona-peptide mQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	50.768, 82.214, 109.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.880 - 1.370
R-factor	0.1425
Rwork	0.142
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a83
RMSD bond length	0.012
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.450
High resolution limit [Å]	1.370	1.380
Rmeas	0.050	0.273
Number of reflections	95619	14111
<I/σ(I)>	25.5
Completeness [%]	98.2	90.8
Redundancy	6.7	4.7
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	20% (w/v) PEG8000, 150 mM NaCl and 100 mM Tris-HCl, pH 7.0