3MS8
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-05 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.939 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.389, 80.081, 79.026 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.700 |
| Rwork | 0.196 |
| R-free | 0.20900 |
| Structure solution method | Its 2Q8X only one point mutation, using its phases doing rigid and annealing |
| Starting model (for MR) | 2q8x |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.890 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 110960 | |
| <I/σ(I)> | 15.3 | 4.7 |
| Completeness [%] | 97.0 | 88.5 |
| Redundancy | 2.88 | 1.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate pH=6.5, 1.9M soduim acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
