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) |