6G9R

Murine class I major histocompatibility complex H-2 Db in complex with self-antigen derived from dopamine monooxygenase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.072
Spacegroup name	P 1 21 1
Unit cell lengths	92.245, 123.597, 99.262
Unit cell angles	90.00, 103.07, 90.00

Refinement procedure

Resolution	45.000 - 2.700
R-factor	0.23562
Rwork	0.234
R-free	0.26441
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s7u
RMSD bond length	0.011
RMSD bond angle	1.522
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.059	0.427
Rpim	0.059
Number of reflections	56263	11115
<I/σ(I)>	8.2	1.5
Completeness [%]	94.5	95.9
Redundancy	2.4
CC(1/2)	0.998	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.5-2.0M ammonium sulfate 0.1M TRIS HCL, pH 8.0