4O9E
Crystal structure of QdtA, a sugar 3,4-ketoisemerase from Thermoanaerobacterium thermosaccharolyticum in complex with TDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-09 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 95.788, 95.788, 94.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.830 - 2.000 |
| R-factor | 0.19895 |
| Rwork | 0.197 |
| R-free | 0.23946 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pa7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 2.390 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.830 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.282 |
| Number of reflections | 28352 | |
| <I/σ(I)> | 18.5 | 3.7 |
| Completeness [%] | 98.2 | 97.9 |
| Redundancy | 6.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 22-28% pentaerythritol propoxylate, 100 mM HEPPS, 10 mM TDP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
