2PAE
Structure of a H49N mutant dTDP-4-keto-6-deoxy-D-glucose-3,4-ketoisomerase from Aneurinibacillus thermoaerophilus 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 | 2007-03-12 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.600, 61.600, 202.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.2 |
| Rwork | 0.207 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pa7 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | EPMR |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.066 | 0.456 |
| Number of reflections | 14336 | |
| <I/σ(I)> | 38.8 | 5.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 24.9 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 18% PEG 8000, 100mM KCl, 100mM HEPPS, 10mM TDP, 20mM fucose, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
