4PGE

MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	87.933, 136.665, 45.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 2.000
R-factor	0.2026
Rwork	0.201
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vab
RMSD bond length	0.005
RMSD bond angle	1.053
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (refmac_5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.948	42.940	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.028	0.623
Rmeas	0.123
Rpim	0.061	0.017	0.361
Total number of observations	144680	4696	20919
Number of reflections	37692
<I/σ(I)>	9.1	21.1	2.3
Completeness [%]	99.9	98.6	100
Redundancy	3.8	3.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	sodium/potassium phosphate buffer 1.9M, MPD 1%, glycerol (cryoprotection)