6JAY
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a dipyrido-pyrimidine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 300 |
| 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 | 98.529, 98.529, 94.447 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.327 - 1.498 |
| R-factor | 0.1733 |
| Rwork | 0.173 |
| R-free | 0.18390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y29 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.008 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.498 | 1.498 |
| Number of reflections | 133121 | 3676 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 12.8 |
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 |
