3M4F
Structural insights into the acidophilic pH adaptation of a novel endo-1,4-beta-xylanase from Scytalidium acidophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 144.660, 144.660, 144.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.990 - 1.890 |
| R-factor | 0.16831 |
| Rwork | 0.167 |
| R-free | 0.19738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bk1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.406 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.034 | 0.135 |
| Number of reflections | 80178 | |
| <I/σ(I)> | 35.6 | 9.49 |
| Completeness [%] | 99.5 | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 298 | 2M ammonium sulphate, 100mM CAPS (pH 10.5) and 200mM sulphate lithium, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
