3ALG
Crystal Structure of Class V Chitinase (E115Q mutant) from Nicotiana tobaccum in complex with NAG4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-05-25 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 62.195, 119.912, 51.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.560 - 1.800 |
| Rwork | 0.164 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID: 3ALF |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.121 |
| Number of reflections | 37240 | |
| <I/σ(I)> | 54.7 | 20 |
| Completeness [%] | 99.7 | 95 |
| Redundancy | 8.1 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1M Tris-HCl, 1.7-2.2M ammonium dihydrogen phosphate, pH 8.5, VAPOR DIFFUSION, temperature 293K |
