2NW3

Crystal structure of HLA-B*3508 presenting EBV peptide EPLPQGQLTAY at 1.7A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-04
Detector	RIGAKU RAXIS
Wavelength(s)	1.502
Spacegroup name	P 21 21 21
Unit cell lengths	50.832, 81.661, 110.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.010 - 1.700
R-factor	0.203
Rwork	0.201
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zsd
RMSD bond length	0.013
RMSD bond angle	1.442
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.653	22.210	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.046	0.029	0.404
Total number of observations		6325	25600
Number of reflections	50052
<I/σ(I)>	11	15.7	1.9
Completeness [%]	97.7	97.7	94.9
Redundancy	3.8	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	0.2M Ammonium acetate, 0.1M Cacodylate (pH7.7), 16% PEG 3350, pH 7.6, vapor diffusion, hanging drop, temperature 277K