7CIS

Peptide modification of MHC class I molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-06
Detector	RIGAKU
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.202, 82.395, 109.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.500 - 2.100
R-factor	0.1837
Rwork	0.182
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bst
RMSD bond length	0.007
RMSD bond angle	0.876
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.112	0.577
Number of reflections	266575	266575
<I/σ(I)>	3.1
Completeness [%]	99.4
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M TRIS-HCl (pH 7.1), 20.5% (w/v) PEG 8,000