5WKE
Crystal Structure of Human CD1b in Complex with PS
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 | CCD |
| Collection date | 2016-06-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9753 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.250, 78.550, 84.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.640 - 1.690 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| 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] | 40.610 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rpim | 0.054 | 0.061 |
| Number of reflections | 43533 | |
| <I/σ(I)> | 14.4 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.3 | 14.4 |
| CC(1/2) | 0.999 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 27% PEG 3350, 0.2M Sodium Malonate |
