7ZT4
Structure of E8 TCR in complex with human MR1 bound to 6FP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.710, 104.390, 117.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.990 - 2.020 |
R-factor | 0.236 |
Rwork | 0.234 |
R-free | 0.26764 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u6q |
RMSD bond length | 0.008 |
RMSD bond angle | 1.476 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.990 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.140 | 4.786 |
Rmeas | 0.145 | 4.946 |
Rpim | 0.037 | 1.234 |
Number of reflections | 74899 | 3684 |
<I/σ(I)> | 13.1 | 0.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.2 | 15.7 |
CC(1/2) | 0.999 | 0.299 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium iodide, 0.1 M Bis-Tris propane pH 8.5 and 20 % w/v PEG 3350 |