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 |