4PGB

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97780
Spacegroup name	P 1 21 1
Unit cell lengths	65.553, 89.257, 88.458
Unit cell angles	90.00, 110.67, 90.00

Refinement procedure

Resolution	44.629 - 2.800
R-factor	0.2588
Rwork	0.258
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.859
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.629	44.629	2.950
High resolution limit [Å]	2.799	8.850	2.800
Rmerge		0.019	0.386
Rmeas	0.101
Rpim	0.059	0.016	0.345
Total number of observations	58044	1929	8293
Number of reflections	23165
<I/σ(I)>	10.4	29.7	2.3
Completeness [%]	98.0	95.1	95.8
Redundancy	2.5	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	sodium/potassium phosphate buffer 1.9M, MPD 1%, glycerol (cryoprotection)