3FND
Crystal structure of a chitinase from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.795, 42.374, 66.850 |
| Unit cell angles | 90.00, 99.70, 90.00 |
Refinement procedure
| Resolution | 33.100 - 1.900 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3co4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.089 | 0.172 |
| Number of reflections | 24231 | |
| <I/σ(I)> | 3 | |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 6.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M Potassium Thiocynanate, 30% w/v Polyethylene Glycol Monometyl ether 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
