7EPW
Crystal structure of monooxygenase Tet(X4) with tigecycline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 97.400, 97.400, 168.980 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.700 - 2.230 |
R-factor | 0.1858 |
Rwork | 0.181 |
R-free | 0.23890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7epv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.580 |
Data reduction software | XDS (20200131) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.350 | 2.290 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.168 | 1.917 |
Number of reflections | 23785 | 1715 |
<I/σ(I)> | 22.5 | 2.3 |
Completeness [%] | 99.6 | |
Redundancy | 36.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 30% PEG4000, 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6 |