4TVU
Crystal structure of trehalose synthase from Deinococcus radiodurans reveals a closed conformation for catalysis of the intramolecular isomerization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-03-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.609, 195.896, 130.986 |
| Unit cell angles | 90.00, 92.89, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.19586 |
| Rwork | 0.194 |
| R-free | 0.23626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zoa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.416 |
| Data reduction software | SCALEPACK |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
| Rmerge | 0.096 | 0.033 | 0.408 |
| Total number of observations | 462831 | ||
| Number of reflections | 128557 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 97.7 | 99.5 | 89.4 |
| Redundancy | 3.6 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 15 % PEG 4000, 0.2 M sodium acetate trihydrate, 0.1 M Tris-HCl (pH 8.5) |
