7OFL
Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.455, 76.622, 135.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.310 - 1.830 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tjz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.154 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmeas | 0.525 | 3.020 |
| Number of reflections | 68244 | 10301 |
| <I/σ(I)> | 8.73 | 1.01 |
| Completeness [%] | 98.6 | 93.3 |
| Redundancy | 7.3 | 7.3 |
| CC(1/2) | 0.989 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100mM Magnesium formate 15% PEG 3350 |
