3GGP
Crystal structure of prephenate dehydrogenase from A. aeolicus in complex with hydroxyphenyl propionate and NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-07 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.061, 92.361, 163.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.450 - 2.250 |
| R-factor | 0.19939 |
| Rwork | 0.198 |
| R-free | 0.24777 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g5c |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.450 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 58247 | |
| <I/σ(I)> | 38.2 | 1.3 |
| Completeness [%] | 97.4 | 81 |
| Redundancy | 8.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 100mM HEPES, 48% MPD, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
