4PGC

MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGN(3,5-diiodotyrosine)PAL

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	2012-05-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 1 21 1
Unit cell lengths	66.179, 90.303, 89.370
Unit cell angles	90.00, 111.58, 90.00

Refinement procedure

Resolution	83.108 - 2.300
R-factor	0.2135
Rwork	0.212
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rjz
RMSD bond length	0.006
RMSD bond angle	1.171
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.108	50.790	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.029	0.529
Rmeas	0.091
Rpim	0.048	0.018	0.329
Total number of observations	152881	4718	22281
Number of reflections	43356
<I/σ(I)>	12	32.2	2.2
Completeness [%]	99.5	98.3	99.4
Redundancy	3.5	3.3	3.5

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)