6MP0

Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the TRP1-M9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-10
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	50.061, 98.436, 121.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.682 - 2.000
R-factor	0.1971
Rwork	0.195
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4huu
RMSD bond length	0.016
RMSD bond angle	1.394
Data reduction software	XDS (20170601)
Data scaling software	XSCALE (20170601)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.682	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.141
Rmeas	0.148
Number of reflections	40488
<I/σ(I)>	11.9	1.58
Completeness [%]	97.5	78.7
Redundancy	11.6
CC(1/2)	0.997	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	16% PEG-6000, 200 mM LiCl, and 100 mM Tris-HCl (pH 8.0)