5ISZ
Crystal structure of LS01-TCR/M1-HLA-A*02 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.810, 75.460, 121.200 |
| Unit cell angles | 90.00, 98.01, 90.00 |
Refinement procedure
| Resolution | 29.143 - 2.060 |
| R-factor | 0.1846 |
| Rwork | 0.184 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.692 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 120.066 | 36.025 | 2.170 |
| High resolution limit [Å] | 2.060 | 6.510 | 2.060 |
| Rmerge | 0.077 | 0.490 | |
| Number of reflections | 65704 | ||
| <I/σ(I)> | 5.6 | 8.4 | 1.5 |
| Completeness [%] | 92.9 | 98.5 | 84.9 |
| Redundancy | 5.7 | 6.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 14% (w/v) PEG 4000, 100 mM Na-HEPES pH 7.0, 200 mM ammonium sulfate |
