11TV
Crystal structure of alpha/beta-hydrolase macrolide esterase EstX from Escherichia coli (S102A mutant) in complex with linearized tylosin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.594, 72.691, 82.051 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 29.020 - 1.650 |
| R-factor | 0.1654 |
| Rwork | 0.164 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.080 | 0.290 |
| Number of reflections | 60035 | 2703 |
| <I/σ(I)> | 10.29 | 2.65 |
| Completeness [%] | 95.8 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.995 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1 mM sodium cacodylate pH 5.3, 0.1 mM taximate, 10% PEG, 15% PSB |
