8CI9
Deoxypodophyllotoxin Synthase in complex with Tris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2020-08-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.713, 66.828, 55.209 |
| Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
| Resolution | 40.160 - 1.410 |
| R-factor | 0.1879 |
| Rwork | 0.186 |
| R-free | 0.21961 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.659 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.130 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.050 | 1.400 |
| Rpim | 0.030 | 0.880 |
| Number of reflections | 56104 | 2792 |
| <I/σ(I)> | 12.6 | 0.7 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | |
| CC(1/2) | 1.000 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M Bis-Tris; 20% (w/v) PEG MME 2000; pH 6.5 20 mg per mL protein |
