2DTX
Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in complex with D-mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.879, 81.879, 138.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.600 |
| Rwork | 0.198 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dte |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.429 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 71448 | |
| <I/σ(I)> | 34.648 | 6.739 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 8.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 293 | 16% PEG 3350, 0.2M AMMONIUM SULFATE, 20% GLYCEROL, 0.1M SODIUM ACETATE, 4MM NADH, 0.1M D-MANNOSE, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
