6S5J
Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2015-11-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92821 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.333, 79.349, 62.393 |
| Unit cell angles | 90.00, 92.20, 90.00 |
Refinement procedure
| Resolution | 42.010 - 2.420 |
| R-factor | 0.2209 |
| Rwork | 0.218 |
| R-free | 0.27730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.808 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.010 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.050 | 0.430 |
| Rpim | 0.030 | 0.260 |
| Number of reflections | 14317 | 1476 |
| <I/σ(I)> | 17.2 | 3.5 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 6.8 | 7.1 |
| CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M Tris-HCl pH 8.0; 0.3 M NH4Cl; 20% PEG 6K |
