8F5A
Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | .956 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.016, 55.804, 122.714 |
Unit cell angles | 90.00, 91.22, 90.00 |
Refinement procedure
Resolution | 46.630 - 1.950 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7rtr |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.630 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.089 | 1.169 |
Rmeas | 0.097 | 1.262 |
Rpim | 0.037 | 0.472 |
Total number of observations | 480504 | 31410 |
Number of reflections | 69447 | 4450 |
<I/σ(I)> | 13.5 | 1.7 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | 7.1 |
CC(1/2) | 0.999 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 8 % tacsimate, 20 % PEG3350 |