4FD5
Crystal structure of arylalkylamine N-Acetyltransferase 2 from Aedes aegypti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| 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 | 48.026, 54.203, 83.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.400 - 1.640 |
| R-factor | 0.20401 |
| Rwork | 0.202 |
| R-free | 0.23435 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.400 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.100 | 0.580 |
| Number of reflections | 27409 | |
| <I/σ(I)> | 28.9 | 4.2 |
| Redundancy | 14.1 | 13.3 |
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 |
