4P46
J809.B5 Y31A TCR bound to IAb3K
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 | 2013-03-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 242.123, 73.429, 65.680 |
| Unit cell angles | 90.00, 90.34, 90.00 |
Refinement procedure
| Resolution | 41.937 - 2.851 |
| R-factor | 0.1846 |
| Rwork | 0.181 |
| R-free | 0.24670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rdt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.176 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.000 | 44.000 | 2.910 |
| High resolution limit [Å] | 2.860 | 7.750 | 2.860 |
| Rmerge | 0.137 | 0.093 | 0.530 |
| Total number of observations | 180378 | ||
| Number of reflections | 27043 | ||
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 100.0 | 99.9 | 99.7 |
| Redundancy | 6.7 | 6.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 100mM NaCitrate, 100mM NaCacodylate, 8% PEG4000 |
