1B6B
MELATONIN BIOSYNTHESIS: THE STRUCTURE OF SEROTONIN N-ACETYLTRANSFERASE AT 2.5 A RESOLUTION SUGGESTS A CATALYTIC MECHANISM
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97935, 0.97900, 0.96860 |
| Spacegroup name | P 61 |
| Unit cell lengths | 56.610, 56.610, 207.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.28200 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 25.370 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.063 * | 0.132 * |
| Total number of observations | 39960 * | |
| Number of reflections | 6476 | |
| <I/σ(I)> | 14.5 | 10.5 |
| Completeness [%] | 85.4 | 93.2 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES | 20 (mM) | |
| 2 | 1 | 1 | 75 (mM) | ||
| 3 | 1 | 1 | dithiothreitol | 10 (mM) | |
| 4 | 1 | 1 | EDTA | 1 (mM) | |
| 5 | 1 | 2 | glycerol | 10 (%(w/v)) |
