4FD6
Crystal structure of native arylalkylamine N-Acetyltransferase 2 from the yellow fever mosquito, Aedes aegypti
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 | 2011-04-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.455, 54.408, 82.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.490 - 1.800 |
| R-factor | 0.19659 |
| Rwork | 0.194 |
| R-free | 0.23775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fd5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.156 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.140 | 0.500 |
| Number of reflections | 20621 | |
| <I/σ(I)> | 22.3 | 5.6 |
| Redundancy | 13.4 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.17 M ammonium acetate, 25.5% polyethylene glycol 4000, and 17% glycerol, 0.1 m sodium citrate , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
