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 |