1KJ3

Mhc Class I H-2Kb molecule complexed with pKB1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	110
Detector technology	CCD
Collection date	1999-02-09
Detector	MARRESEARCH
Wavelength(s)	0.931
Spacegroup name	P 1 21 1
Unit cell lengths	66.240, 90.630, 89.580
Unit cell angles	90.00, 111.51, 90.00

Refinement procedure

Resolution	12.000 - 2.300
R-factor	0.211
Rwork	0.207
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vac
RMSD bond length	0.009
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.530	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.046 *
Number of reflections	43653
<I/σ(I)>	11.4	4.2
Completeness [%]	99.5	98.9
Redundancy	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	1.5M K2HPO4/N2HPO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium potassium phosphate	1.5 (M)	pH6.5
2	1	drop	protein	4.0 (mg/ml)