6FHN
Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.270, 103.270, 210.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.290 - 2.000 |
| R-factor | 0.17458 |
| Rwork | 0.173 |
| R-free | 0.20976 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.524 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.290 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.640 |
| Number of reflections | 88513 | |
| <I/σ(I)> | 16 | 3.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20-22% PEG3350, 0.1M Bis-Tris propane |
