8DV4
Crystal structure of the BC8B TCR-CD1b-PI complex
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 | 2020-02-26 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.088, 65.430, 101.581 |
Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
Resolution | 46.070 - 2.400 |
R-factor | 0.1947 |
Rwork | 0.192 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cug |
RMSD bond length | 0.007 |
RMSD bond angle | 0.965 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.070 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rpim | 0.059 | 0.588 |
Number of reflections | 36933 | 3651 |
<I/σ(I)> | 11.6 | 2.2 |
Completeness [%] | 99.9 | 99.86 |
Redundancy | 7.1 | |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24 %(w/v) PEG 4000, 0.02 M Tris-HCl (pH 7.0), 2% ethylene glycol |