1NFD
AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.740, 122.300, 115.840 |
| Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.800 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.30900 |
| Structure solution method | MOLECULAR REPLACEMENT AND MAD PHASING |
| Starting model (for MR) | 1TCR FOR TCR AND A PARTIALLY REFINED FAB FROM SACCHETTINI GROUP |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.078 | 0.263 |
| Number of reflections | 37321 | |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 76.6 | 51.1 |
| Redundancy | 3.1 | 1.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.5 | Liu, J., (1996) J.Biol.Chem., 271, 33639. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG8000 | 8-10 (%) | |
| 2 | 1 | 1 | 0.2 (M) | ||
| 3 | 1 | 1 | acetate | 0.1 (M) |
