3FYU
Crystal structure of acetyl xylan esterase from Bacillus pumilus obtained in presence of D-xylose and sodium acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 142.225, 86.622, 183.973 |
| Unit cell angles | 90.00, 112.78, 90.00 |
Refinement procedure
| Resolution | 26.880 - 2.620 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3fvt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.234 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.720 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.097 | 0.362 |
| Number of reflections | 106905 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 86.9 | 80.6 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 293 | 0.3M lithium chloride, 0.2M sodium acetate, 0.2M D-xylose, 5% PEG 6000, 0.05M MES, pH 6.0, microbatch, temperature 293K |
