6S5M
Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-02-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.365, 78.756, 62.213 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 54.840 - 1.900 |
| R-factor | 0.2054 |
| Rwork | 0.203 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.571 |
| 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] | 54.840 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.510 |
| Rpim | 0.040 | 0.440 |
| Number of reflections | 28720 | 1858 |
| <I/σ(I)> | 7.5 | 1.6 |
| Completeness [%] | 98.9 | 99.5 |
| Redundancy | 4.1 | 4 |
| CC(1/2) | 1.000 | 0.950 |
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 |
