3MRI

Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.8726
Spacegroup name	P 1 21 1
Unit cell lengths	52.407, 80.506, 55.904
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.239
Rwork	0.239
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mrg
RMSD bond length	0.011
RMSD bond angle	1.305
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.170
High resolution limit [Å]	2.100	8.130	2.100
Rmerge	0.107	0.040	0.460
Number of reflections	25056	445	2331
<I/σ(I)>	8.71	22.5	2.8
Completeness [%]	99.5	97.2	99.9
Redundancy	3.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	9% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K