4WKH
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
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 | 2013-11-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.500, 105.528, 41.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.809 - 1.050 |
| R-factor | 0.1439 |
| Rwork | 0.143 |
| R-free | 0.15340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1guv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.283 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1255)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.681 | |
| Number of reflections | 175071 | |
| <I/σ(I)> | 31.92 | 2.24 |
| Completeness [%] | 99.8 | 98.46 |
| Redundancy | 6.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 25 % (w/v) polyethylene glycol (PEG) 3350, 0.2 M potassium sodium tartrate at pH 7.2, 0.3mM 4-methylumbelliferyl triacetylchitotrioside |
