5HBF
Crystal structure of human full-length chitotriosidase (CHIT1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-31 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.143, 106.661, 85.670 |
| Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
| Resolution | 44.686 - 1.950 |
| R-factor | 0.2064 |
| Rwork | 0.205 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wjx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1255) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.690 | 2.013 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 114875 | |
| <I/σ(I)> | 15.06 | 1.85 |
| Completeness [%] | 96.6 | 89.4 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 15% PEG3350, 0.02 M HEPES, pH 6.8, 0.2% MPD, 0.2% 1,2,3-heptanetriol, 0.2% diethylenetriaminepentakis, 0.2% D-sorbitol, 0.2% glycerol |
