7DAL
The crystal structure of a serotonin N-acetyltransferase in complex with serotonin 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 | CCD |
Collection date | 2020-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.551, 66.803, 81.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.580 - 2.500 |
R-factor | 0.2293 |
Rwork | 0.227 |
R-free | 0.26920 |
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] | 19.580 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.056 | 0.636 |
Rmeas | 0.059 | 0.661 |
Rpim | 0.017 | 0.179 |
Number of reflections | 12345 | 1458 |
<I/σ(I)> | 12.5 | 13.4 |
Completeness [%] | 93.6 | 100 |
Redundancy | 12.5 | 13.4 |
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 |