1K8D

crystal structure of the non-classical MHC class Ib Qa-2 complexed with a self peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	53.920, 56.180, 119.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 * - 2.300
R-factor	0.223
Rwork	0.222
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vac
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000 *	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.112	0.370
Total number of observations	61755 *
Number of reflections	16467
Completeness [%]	97.6	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	295	PEG6000, HEPES, sodium chloride, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.2
2	1	drop		150 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	HEPES	0.1 (M)	pH7.2
5	1	reservoir	PEG6000	10 (%)