8DV3
Crystal structure of human CD1b presenting Phosphatidylinositol C34:1
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 | 2018-10-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9753 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.816, 78.628, 92.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.580 - 1.900 |
R-factor | 0.1935 |
Rwork | 0.192 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wl1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.899 |
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] | 46.580 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rpim | 0.062 | 0.635 |
Number of reflections | 33822 | 3316 |
<I/σ(I)> | 13.5 | 2.1 |
Completeness [%] | 99.3 | 98.66 |
Redundancy | 14.7 | 14.7 |
CC(1/2) | 0.990 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% PEG 3350, 0.2M Sodium Iodide, 2% ethylene glycol |