2PWD
Crystal Structure of the Trehalulose Synthase MUTB from Pseudomonas Mesoacidophila MX-45 Complexed to the Inhibitor Deoxynojirmycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.400, 72.000, 82.000 |
| Unit cell angles | 67.20, 73.40, 70.90 |
Refinement procedure
| Resolution | 42.320 - 1.800 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1zja |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| 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] | 42.300 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 110212 | |
| <I/σ(I)> | 9.72 | 3.92 |
| Redundancy | 2.1 | 2.1 |
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 |
