2PT5
Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-17 |
| Detector | RIGAKU |
| Wavelength(s) | 0.9790, 0.97943, 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.598, 57.932, 97.143 |
| Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
| Resolution | 38.530 - 2.100 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.26900 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.306 |
| Number of reflections | 33586 | |
| Completeness [%] | 99.6 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.8 | 293 | 27.5% PEG 4000, 0.1M Acetate-NaOH, 10% Dioxane, pH4.8, microbatch, temperature 293K |
