3TBW

CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G, V3P, Y4S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	X-Flash XRF detector
Collection date	2009-09-09
Detector	Bruker AXS/Roentec X-Flash XRF detector
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	91.399, 124.277, 99.887
Unit cell angles	90.00, 103.23, 90.00

Refinement procedure

Resolution	47.482 - 2.150
R-factor	0.2349
Rwork	0.232
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s7u
RMSD bond length	0.020
RMSD bond angle	1.656
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.700	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.079	0.351
Number of reflections	116037
<I/σ(I)>	11.8	2.5
Completeness [%]	98.5	99.7
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Crystals were obtained in 1.6-1.8 M ammonium sulfate, 0.1 M Tris HCl pH 7.0-9.0 screening conditions. 4 ul of a 5mg/ml protein solution were mixed in a 4:2 ratio with the crystallization reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 293K