5TRZ
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0333 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.635, 88.816, 110.754 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.247 |
| R-factor | 0.1742 |
| Rwork | 0.171 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.796 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.060 | 0.972 |
| Number of reflections | 41174 | |
| <I/σ(I)> | 12.9 | 1.3 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.999 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 14% PEG 4000, 0.1M MES buffer, 5% MPD |
