6JAV
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a piperidine-thienopyridine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.643, 98.643, 94.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.359 - 1.437 |
| R-factor | 0.1616 |
| Rwork | 0.161 |
| R-free | 0.17760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y29 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.109 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.460 |
| High resolution limit [Å] | 1.437 | 1.437 |
| Number of reflections | 139584 | 4208 |
| <I/σ(I)> | 5.6 | 2.37 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.5 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M sodium chloride, 0.1M Tris (pH 8.5) and 25% PEG3350 |
