2PA7
Structure of Wild-Type dTDP-4-keto-6-deoxy-D-glucose-3,4-ketoisomerase from Aneurinibacillus thermoaerophilus in complex with TDP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-14 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97907, 0.96411, 0.97924, 0.96411 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.725, 61.725, 201.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.24500 |
| Structure solution method | MAD |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.524 |
| Number of reflections | 62658 | |
| <I/σ(I)> | 48.3 | 1.9 |
| Completeness [%] | 98.7 | 92.3 |
| Redundancy | 7.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20-21% PEG 3400, 150-200mM KCl, 100mM HEPES, 10mM TDP, 20mM fucose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
