3VPL
Crystal structure of a 2-fluoroxylotriosyl complex of the Vibrio sp. AX-4 Beta-1,3-xylanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2011-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.343, 75.437, 81.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.610 - 1.200 |
| R-factor | 0.14156 |
| Rwork | 0.141 |
| R-free | 0.15607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddx |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.434 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
| Rmerge | 0.044 | 0.024 | 0.257 |
| Number of reflections | 98695 | ||
| <I/σ(I)> | 14.1 | ||
| Completeness [%] | 97.1 | 97.3 | 94.6 |
| Redundancy | 7.3 | 6.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.0M sodium citrate, 0.1M MES, pH 6.5, vapor diffusion, hanging drop, temperature 293K |
