3MRN

Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide

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	2006-02-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93300
Spacegroup name	C 1 2 1
Unit cell lengths	97.943, 37.935, 119.858
Unit cell angles	90.00, 90.89, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.222
Rwork	0.214
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
RMSD bond length	0.009
RMSD bond angle	1.172
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000		2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.123	0.047	0.368
Number of reflections	17510	317	1242
<I/σ(I)>	7.54	14.2	2.8
Completeness [%]	87.3	82.1	63.7
Redundancy	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K