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 |