3DOO
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.189, 52.529, 56.777 |
| Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.192 |
| Rwork | 0.188 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3don |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.082 |
| Data scaling software | d*TREK (7.1SSI) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.230 | 28.230 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
| Rmerge | 0.122 | 0.046 | 0.380 |
| Total number of observations | 5155 | 4674 | |
| Number of reflections | 13476 | ||
| <I/σ(I)> | 5.2 | 14.2 | 1.9 |
| Completeness [%] | 99.2 | 95 | 99.6 |
| Redundancy | 3.52 | 3.29 | 3.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Sodium Cacodylate pH 6.5, 23% PEG 8000, 0.2M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
