3TBT
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.670, 123.800, 99.590 |
Unit cell angles | 90.00, 103.34, 90.00 |
Refinement procedure
Resolution | 42.370 - 2.300 |
R-factor | 0.24468 |
Rwork | 0.242 |
R-free | 0.29488 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s7u |
RMSD bond length | 0.012 |
RMSD bond angle | 1.346 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 2.310 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.096 | 0.200 |
Number of reflections | 110658 | 15257 |
<I/σ(I)> | 12.8 | 5.8 |
Completeness [%] | 98.7 | 93.4 |
Redundancy | 3.6 | 3 |
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 |