4HOX
The crystal structure of isomaltulose synthase from Erwinia rhapontici NX5 in complex with Tris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-21 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.662, 81.131, 137.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.140 - 2.000 |
| R-factor | 0.14214 |
| Rwork | 0.139 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4how |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.764 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.190 |
| Number of reflections | 130922 | |
| <I/σ(I)> | 4.95 | |
| Completeness [%] | 87.4 | 89.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG3350, 0.1M Tris-HCl, 0.2M Ammonium sulfate, 10% Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
