6YHH
X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-04-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.986, 124.547, 151.587 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.700 |
| R-factor | 0.1443 |
| Rwork | 0.143 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1now |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.945 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.8) |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.000 | 48.160 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
| Rmerge | 0.077 | 0.024 | 0.440 |
| Rmeas | 0.084 | 0.026 | 0.496 |
| Rpim | 0.032 | 0.011 | 0.223 |
| Total number of observations | 6270 | 35652 | |
| Number of reflections | 158136 | 1096 | 7637 |
| <I/σ(I)> | 17.2 | 50.4 | 3.2 |
| Completeness [%] | 99.9 | 98.7 | 98.4 |
| Redundancy | 6.5 | 5.7 | 4.7 |
| CC(1/2) | 0.999 | 0.999 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 14% PEGMME 5K, 0.1 M Na-Malonate |
