3MBE
TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 96 |
Detector technology | CCD |
Collection date | 2009-10-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.07229 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.468, 99.391, 404.677 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.261 - 2.886 |
R-factor | 0.254 |
Rwork | 0.253 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | I-Ag7GPI282-292 (unpublished) PDB ENTRY 1MWA |
RMSD bond length | 0.007 |
RMSD bond angle | 1.002 |
Data reduction software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.260 | 2.980 |
High resolution limit [Å] | 2.880 | 2.880 |
Number of reflections | 43435 | |
<I/σ(I)> | 0.98 | |
Completeness [%] | 68.9 | 26.4 |
Redundancy | 1.99 | 0.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |