7ZT5
Structure of E8 TCR in complex in human MR1 bound to 3FSA
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 | 90.970, 104.670, 117.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.850 - 2.090 |
R-factor | 0.22714 |
Rwork | 0.225 |
R-free | 0.26607 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u6q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.479 |
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] | 58.850 | 2.130 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.091 | 4.970 |
Rmeas | 0.094 | 5.164 |
Rpim | 0.024 | 1.383 |
Number of reflections | 67006 | 3210 |
<I/σ(I)> | 14.9 | 0.5 |
Completeness [%] | 99.8 | 97.04 |
Redundancy | 15 | 13.6 |
CC(1/2) | 1.000 | 0.344 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium malonate dibasic monohydrate, 0.1 M Bis-Tris Propane pH 8.5, 20% PEG 3350 |