4NDM
Structure of the AB18.1 TCR
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] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.078, 142.213, 77.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.539 - 3.006 |
| R-factor | 0.2441 |
| Rwork | 0.242 |
| R-free | 0.27970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3OMZ and 2EYR |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 12399 | |
| <I/σ(I)> | 2.94 | |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 20% PEG3350, 0.2 M trisodium citrate, 2% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
