7E38
Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with yatein and succinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-05-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 100.763, 100.763, 172.602 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.890 - 2.050 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.21730 |
| Structure solution method | MAD |
| Starting model (for MR) | 7e37 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.558 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19rc4_4035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 62652 | 3622 |
| <I/σ(I)> | 17.68 | |
| Completeness [%] | 97.3 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.974 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 1.4 M sodium citrate tribasic dihydrate |
