6MP1

Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the mutant TRP1-K8 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	52.569, 68.329, 117.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.005 - 2.211
R-factor	0.2111
Rwork	0.209
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4huu
RMSD bond length	0.003
RMSD bond angle	0.641
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]	48.016	2.290
High resolution limit [Å]	2.211	2.211
Rmerge	0.114	1.711
Rmeas	0.120	1.825
Number of reflections	21851
<I/σ(I)>	13.82	0.89
Completeness [%]	99.4
Redundancy	9.6
CC(1/2)	0.998	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	30% PEG-1500, 100 mM MIB buffer, pH 7.0