3D25

Crystal structure of HA-1 minor histocompatibility antigen bound to human class I MHC HLA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	ADSC
Collection date	2005-11-11
Spacegroup name	P 1 21 1
Unit cell lengths	53.170, 80.980, 56.260
Unit cell angles	90.00, 112.32, 90.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.169
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bd2
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.033	1.370
High resolution limit [Å]	1.300	1.300
Rmerge	0.064	0.583
Number of reflections	108069
<I/σ(I)>	7.8	1.3
Completeness [%]	99.5	100
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	20 % PEG 10K, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50