4DWS
Crystal Structure of a chitinase from the Yersinia entomophaga toxin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.505, 210.556, 92.584 |
| Unit cell angles | 90.00, 95.27, 90.00 |
Refinement procedure
| Resolution | 105.278 - 1.800 |
| R-factor | 0.1617 |
| Rwork | 0.160 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oa5 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.004 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 105.278 | 19.896 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.038 | 0.582 | |
| Total number of observations | 51910 | 224369 | |
| Number of reflections | 212127 | ||
| <I/σ(I)> | 13.9 | 17.2 | 1.2 |
| Completeness [%] | 99.9 | 97.7 | 100 |
| Redundancy | 7.6 | 7.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 26% PEG 3350, 2% isopropanol, 0.1 M calcium chloride, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
