6FHJ
Structural dynamics and catalytic properties of a multi-modular xanthanase, native.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.350, 103.350, 212.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.500 - 2.040 |
| R-factor | 0.18133 |
| Rwork | 0.180 |
| R-free | 0.21047 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.487 |
| 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] | 27.500 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.099 | 0.650 |
| Number of reflections | 84289 | |
| <I/σ(I)> | 15.8 | 3.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 10.2 | |
| CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PACT condition E12, 20 percent PEG3350, sodium malonate |
