5X6S
Acetyl xylan esterase from Aspergillus awamori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-04 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 174.151, 174.151, 50.708 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.080 - 1.900 |
| R-factor | 0.15257 |
| Rwork | 0.151 |
| R-free | 0.18471 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.522 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.080 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.359 |
| Number of reflections | 44285 | 4308 |
| <I/σ(I)> | 16.4 | 2.5 |
| Completeness [%] | 98.1 | 95.5 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 21-22.5% PEG 8000, 0.1M MES-NaOH (pH 5.0), 0.2M calcium acetate, 5% MPD |
