2PWG
Crystal Structure of the Trehalulose Synthase MutB From Pseudomonas Mesoacidophila MX-45 Complexed to the Inhibitor Castanospermine
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 | 2005-06-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9803 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.240, 85.960, 123.520 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.200 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.23000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1zjb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.300 |
| High resolution limit [Å] | 2.000 | 2.200 |
| Rmerge | 0.413 | |
| Number of reflections | 67348 | |
| <I/σ(I)> | 0.102 | 3.89 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 13% PEG20000, 0.1M Na cacodylate, 0.01M L-cysteine, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
