2HK9
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-23 |
| Detector | BRUKER PROTEUM 300 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.999, 119.803, 128.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.410 - 2.200 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hk7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Phasing software | PHASER |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.109 | 0.331 |
| Number of reflections | 47970 | |
| <I/σ(I)> | 8.8 | 2.1 |
| Completeness [%] | 83.9 | 54.5 |
| Redundancy | 2.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 292 | 30% w/v PEG4K in 0.1M sodium acetate (pH 4.6), pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
