5TS1
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV)
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 |
Unit cell lengths | 47.302, 88.960, 109.947 |
Unit cell angles | 89.97, 93.83, 90.04 |
Refinement procedure
Resolution | 47.200 - 2.300 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.22390 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.201 |
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] | 47.200 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.232 | 1.180 |
Number of reflections | 78047 | |
<I/σ(I)> | 6.9 | 1.3 |
Completeness [%] | 98.2 | 97.4 |
Redundancy | 3.9 | 4 |
CC(1/2) | 0.979 | 0.488 |
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 |