3TBV

CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G,V3P,Y4A)

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	96.584, 126.473, 102.110
Unit cell angles	90.00, 106.71, 90.00

Refinement procedure

Resolution	49.510 - 2.100
R-factor	0.2272
Rwork	0.225
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s7u
RMSD bond length	0.020
RMSD bond angle	1.860
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]	74.700	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.383
Number of reflections	152694
<I/σ(I)>	14.3	2
Completeness [%]	96.5	80
Redundancy	3.7	2.7

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