6S5U
Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine
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 | 2017-05-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 31 |
| Unit cell lengths | 125.747, 125.747, 117.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.900 - 2.030 |
| R-factor | 0.313 |
| Rwork | 0.312 |
| R-free | 0.33380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.476 |
| 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] | 39.900 | 2.060 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.190 | 0.670 |
| Rpim | 0.120 | 0.440 |
| Number of reflections | 133410 | 6658 |
| <I/σ(I)> | 6.8 | 2.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.1 | |
| CC(1/2) | 0.990 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% PEG 6000; 0.3 M MH4Cl; 0.1M Tris-HCl pH 8.0 |
