3MSG
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.228, 80.771, 79.056 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 36.440 - 1.500 |
| Rwork | 0.187 |
| R-free | 0.20200 |
| Structure solution method | The same IXT6 only with xylotiose, using 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] | 36.440 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 131154 | |
| <I/σ(I)> | 25.18 | 2.07 |
| Completeness [%] | 95.9 | 93.8 |
| Redundancy | 6.76 |
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 |
