3OA5
The structure of chi1, a chitinase from Yersinia entomophaga
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 | 2009-11-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.012, 67.172, 81.679 |
| Unit cell angles | 102.85, 108.06, 92.10 |
Refinement procedure
| Resolution | 75.270 - 1.740 |
| R-factor | 0.16678 |
| Rwork | 0.165 |
| R-free | 0.20989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1itx |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.628 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.270 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.093 | 0.491 |
| Number of reflections | 110418 | |
| <I/σ(I)> | 7.7 | 2 |
| Completeness [%] | 96.9 | 95.7 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 7% PEG 1000, 6% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
