9W2C
Crystal structure of Aedes aegypti Dopachrome Conversion Enzyme with L-Dopamine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.308, 103.874, 99.034 |
| Unit cell angles | 90.00, 110.35, 90.00 |
Refinement procedure
| Resolution | 29.660 - 3.390 |
| R-factor | 0.19838 |
| Rwork | 0.194 |
| R-free | 0.27375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.863 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.520 |
| High resolution limit [Å] | 3.390 | 3.390 |
| Rmerge | 0.130 | 0.372 |
| Number of reflections | 23333 | 2314 |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Sodium cacodylate trihydrate pH 6.5, 0.2 M Calcium acetate hydrate, and 20% w/v Polyethylene glycol 8,000 |
