4NSK

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

Replaces:  3TBX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.826
Spacegroup name	C 1 2 1
Unit cell lengths	90.460, 108.540, 57.390
Unit cell angles	90.00, 122.43, 90.00

Refinement procedure

Resolution	19.090 - 2.600
R-factor	0.21925
Rwork	0.216
R-free	0.28297
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s7u
RMSD bond length	0.011
RMSD bond angle	1.319
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.900	2.710
High resolution limit [Å]	2.570	2.570
Rmerge		0.552
Number of reflections	14534
<I/σ(I)>	6.9	1.7
Completeness [%]	94.0	88.2
Redundancy	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.6-1.8 M AMMONIUM SULFATE, 0.1 M TRIS HCL PH 7.0-9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K