3AFB
Crystal structures of catalytic site mutants of active domain 2 of chitinase from Pyrococcus furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.912, 91.997, 107.402 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.130 - 1.760 |
| R-factor | 0.1622 |
| Rwork | 0.161 |
| R-free | 0.18232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.255 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.091 | 0.442 |
| Number of reflections | 88365 | |
| <I/σ(I)> | 29.1 | 3.9 |
| Completeness [%] | 99.5 | 95.8 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
