7CIR

Peptide phosphorylation modification of MHC class I molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-18
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	50.725, 82.238, 108.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.940 - 1.810
R-factor	0.1781
Rwork	0.176
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bst
RMSD bond length	0.006
RMSD bond angle	0.844
Phasing software	CNS
Refinement software	REFMAC (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.111	0.517
Number of reflections	303959	303959
<I/σ(I)>	3.8
Completeness [%]	98.5
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1M TRIS-HCl (PH7.9) 17.5%(w/v)PEG8000