6JAW
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a napthalimide 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 | 2018-06-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.314, 98.314, 94.053 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.566 - 1.981 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y29 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.801 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.981 | 1.981 |
| Number of reflections | 51402 | 1595 |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.7 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2M sodium chloride, 0.1M Tris (pH 8.5) and 25% PEG3350 |
