5BN1
Structure of Axe2-W215I, an acetyl xylan 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 | 2014-02-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 108.880, 108.880, 216.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.14511 |
| Rwork | 0.144 |
| R-free | 0.16577 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w7v |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.670 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.079 | 0.561 |
| Number of reflections | 85395 | |
| <I/σ(I)> | 16.7 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.1 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 1.2 M K tartrate, 0.3 M NaCl, 0.1 M imidazole buffer pH 7.2 |
