4A6E
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM and N-acetylserotonin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-09 |
Detector | MARRESEARCH |
Spacegroup name | H 3 2 |
Unit cell lengths | 170.080, 170.080, 128.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.740 - 2.700 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.21220 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 2.860 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.090 | 0.750 |
Number of reflections | 19684 | |
<I/σ(I)> | 23.3 | 3.4 |
Completeness [%] | 99.7 | 98 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 30% PEG400, 0.1M CACODYLATE PH6.5, 0.2M LISO4 |