4PGD

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

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	88.047, 137.027, 45.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.220 - 2.700
R-factor	0.213
Rwork	0.210
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vab
RMSD bond length	0.004
RMSD bond angle	0.926
Data scaling software	SCALA (3.3.20)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.074	45.676	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.040	0.550
Rmeas	0.162
Rpim	0.082	0.028	0.321
Total number of observations	58928	1914	8687
Number of reflections	15630
<I/σ(I)>	10.6	21.8	3.8
Completeness [%]	99.7	98.6	99.6
Redundancy	3.8	3.3	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)