6LNR
Structure of intact chitinase with hevein domain from the plant Simarouba glauca, known for its traditional anti-inflammatory efficacy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.811, 84.811, 100.536 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.720 - 1.660 |
| R-factor | 0.1741 |
| Rwork | 0.173 |
| R-free | 0.19270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mst |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.389 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.482 | 1.700 |
| High resolution limit [Å] | 1.659 | 1.660 |
| Rmeas | 0.076 | 0.779 |
| Number of reflections | 49928 | 7006 |
| <I/σ(I)> | 25.5 | 2.35 |
| Completeness [%] | 99.9 | 98.2 |
| Redundancy | 6.69 | |
| CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100mM Tris (pH-8.5), 200mM Magnesium Chloride and 20%PEG |
