2EGG
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Geobacillus kaustophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 171.394, 171.394, 171.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.540 - 2.250 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wxd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.810 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 0.498 |
| Number of reflections | 39341 | |
| <I/σ(I)> | 19.4 | 4.2 |
| Completeness [%] | 99.1 | 99 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.1 | 2.5M NaCl, 100mM Imidazole, pH 8.1, microbatch |
