7EPV
Crystal structure of tigecycline degrading monooxygenase Tet(X4)
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 | 97.530, 97.530, 168.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.740 - 1.780 |
| R-factor | 0.1671 |
| Rwork | 0.165 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.725 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.770 | 1.830 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.090 | 1.335 |
| Number of reflections | 46095 | 3306 |
| <I/σ(I)> | 29.4 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 33.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.6 |
