3V1S
Scaffold tailoring by a newly detected Pictet-Spenglerase ac-tivity of strictosidine synthase (STR1): from the common tryp-toline skeleton to the rare piperazino-indole framework
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 150.976, 150.976, 121.471 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.496 - 2.328 |
| R-factor | 0.1869 |
| Rwork | 0.185 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v91 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.109 |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.500 |
| High resolution limit [Å] | 2.320 |
| Number of reflections | 44907 |
| Completeness [%] | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
