4GO9
CRYSTAL STRUCTURE of the TREHALULOSE SYNTHASE MUTANT, MUTB D415N, in COMPLEX with TRIS
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 | 2004-11-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9699 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.520, 84.990, 123.950 |
| Unit cell angles | 90.00, 99.53, 90.00 |
Refinement procedure
| Resolution | 40.800 - 2.200 |
| R-factor | 0.1715 |
| Rwork | 0.166 |
| R-free | 0.21940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2pwg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.726 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.830 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.319 | |
| Number of reflections | 67185 | |
| <I/σ(I)> | 9.36 | 4.16 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 0.1M Tris-HCl, 12% (w/v) PEG20000, 0.01M L-Cysteine, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
