3GBD
Crystal structure of the isomaltulose synthase SmuA from Protaminobacter rubrum
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 | 2004-12-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9803 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.630, 81.390, 135.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.950 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m53 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 51963 | |
| <I/σ(I)> | 13.2 | 4.7 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 0.2M tri-Li-citrate, 20% PEG3350, pH7, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
