3V52

Structure of a monoclonal antibody complexed with its MHC-I antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07500
Spacegroup name	C 1 2 1
Unit cell lengths	193.524, 40.423, 59.265
Unit cell angles	90.00, 102.74, 90.00

Refinement procedure

Resolution	45.067 - 1.697
R-factor	0.1983
Rwork	0.197
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.201
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.697	1.697
Rmerge	0.088
Number of reflections	49812
<I/σ(I)>	19.3
Completeness [%]	99.8
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1M LiSO4, 0.1M Tris, 30% (w/v/) PEG 3000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K