5WKI
Crystal structure of PG90 TCR-CD1b-PG 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 | CCD |
Collection date | 2016-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9753 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.010, 82.970, 90.160 |
Unit cell angles | 90.00, 94.88, 90.00 |
Refinement procedure
Resolution | 75.730 - 2.750 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.070 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.730 | 2.880 |
High resolution limit [Å] | 2.750 | 2.750 |
Rpim | 0.709 | |
Number of reflections | 29184 | |
<I/σ(I)> | 5.3 | 1.6 |
Completeness [%] | 99.8 | 97.8 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 12% PEG8K, 0.2M Zinc Acetate, 0.1M MES pH 6.2 |