7DAK
The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.978530 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.382, 66.815, 83.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.650 - 2.800 |
| R-factor | 0.2069 |
| Rwork | 0.200 |
| R-free | 0.26610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iv7 |
| Data scaling software | Aimless |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.650 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.124 | 0.590 |
| Rmeas | 0.129 | 0.636 |
| Rpim | 0.036 | 0.238 |
| Number of reflections | 9575 | 1360 |
| <I/σ(I)> | 16.8 | 4.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 12.8 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.2 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% (w/v) Polyethylene glycol 4000 |
