7E37
Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with 2-oxoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-02-06 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.99984 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.050, 158.287, 51.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.020 - 2.090 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.600 |
| 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] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 47156 | 3881 |
| <I/σ(I)> | 13 | 3.16 |
| Completeness [%] | 93.5 | 77.9 |
| Redundancy | 3.1 | 2.5 |
| CC(1/2) | 0.971 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris-HCl pH 8.5, 0.2 M lithium sulfate, and 25% w/v PEG 3,350 |
