6Y28

Crystal structure of HLA-B2705 complexed with the nona-peptide mE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-17
Detector	MARRESEARCH
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	51.031, 83.057, 110.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.530 - 1.690
R-factor	0.1872
Rwork	0.185
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a83
RMSD bond length	0.012
RMSD bond angle	1.171
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]	42.000	1.780
High resolution limit [Å]	1.680	1.680
Rmerge		1.134
Rmeas	0.148
Number of reflections	53523	7935
<I/σ(I)>	7.5	1.5
Completeness [%]	97.8	91
Redundancy	3.8	3.7
CC(1/2)	0.993	0.541

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