4JJ6
Crystal structure of a catalytic mutant of Axe2 (Axe2-H194A), an acetylxylan esterase from Geobacillus stearothermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.954 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 110.032, 110.032, 213.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.860 - 1.800 |
| R-factor | 0.1511 |
| Rwork | 0.149 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.057 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.7.0029) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.860 | 1.846 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 60764 | |
| Completeness [%] | 99.9 | 99.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.0-1.4 M K/Na tartrate, 0.3 M NaCl, 0.1 M imidazole buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
