4P23
J809.B5 TCR bound to IAb/3K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 239.121, 73.514, 65.730 |
| Unit cell angles | 90.00, 90.58, 90.00 |
Refinement procedure
| Resolution | 39.851 - 2.250 |
| R-factor | 0.1668 |
| Rwork | 0.164 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rdt |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.000 | 41.000 | 2.280 |
| High resolution limit [Å] | 2.240 | 6.070 | 2.240 |
| Rmerge | 0.082 | 0.041 | 0.462 |
| Total number of observations | 311303 | ||
| Number of reflections | 53984 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 97.8 | 99.7 | 95.8 |
| Redundancy | 5.8 | 6.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 100mM NaCitrate pH5.8 100mM NaCacodylate pH5.8 10% PEG4K |
