1T0N

Conformational switch in polymorphic H-2K molecules containing an HSV peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	66.280, 90.230, 89.150
Unit cell angles	90.00, 111.50, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.23
Rwork	0.230
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.310
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	0.491
Number of reflections	79707
<I/σ(I)>	16.1	2
Completeness [%]	93.9	30.2
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 8000, calcium acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K