7JI2

Crystal Structure of H2-Kb in complex with a OVA mutant peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	66.427, 90.011, 89.674
Unit cell angles	90.00, 111.70, 90.00

Refinement procedure

Resolution	45.010 - 1.950
R-factor	0.1913
Rwork	0.170
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kpu
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.097	0.062	0.642
Rmeas	0.105	0.067	0.692
Rpim	0.040	0.026	0.257
Total number of observations	488045
Number of reflections	70409	3535	3479
<I/σ(I)>	4.8
Completeness [%]	98.1	96.2	98.4
Redundancy	6.9	6.8	7
CC(1/2)		0.996	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.200 M Potassium Sodium Tartrate 20.000% (w/v) PEG 3350