1KUX
X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.455, 68.567, 89.791 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.197 * |
| Rwork | 0.197 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kuv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.046 | 0.160 |
| Number of reflections | 13920 | |
| <I/σ(I)> | 25.8 | 7.3 |
| Completeness [%] | 99.6 | 97.8 |
| Redundancy | 5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
| 2 | 1 | reservoir | PEG2000 | 30 (%(w/v)) | |
| 3 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 4 | 1 | reservoir | magnesium acetate | 0.1 (M) | |
| 5 | 1 | reservoir | MPD | 2.0 (%(v/v)) | |
| 6 | 1 | reservoir | dithiothreitol | 30 (mM) | |
| 7 | 1 | reservoir | spermidine | 20 (mM) | |
| 8 | 1 | reservoir | 0.1 (M) | ||
| 9 | 1 | drop | protein | 7 (mg/ml) |
