8GLH
Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.95370 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.447, 77.049, 91.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.130 - 1.830 |
R-factor | 0.169 |
Rwork | 0.166 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d64 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.130 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rpim | 0.037 | 0.469 |
Number of reflections | 36495 | 2143 |
<I/σ(I)> | 19.5 | 2.3 |
Completeness [%] | 99.7 | 95.7 |
Redundancy | 7.3 | 7.1 |
CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% PEG3350, 0.2 M sodium iodide, 2% ethylene glycol |