1KUV
X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-03-23 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.97946, 0.97927, 0.92011, 0.91970 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.313, 68.716, 89.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.203 * |
| Rwork | 0.203 |
| R-free | 0.25000 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MARMAD |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.123 |
| Total number of observations | 86780 * | |
| Number of reflections | 10517 | |
| <I/σ(I)> | 16.3 | 9.6 |
| Completeness [%] | 92.0 * | 80 * |
| Redundancy | 8.3 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | used microseeding * |
| 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) |
