3EL6
Crystal Structure of the Erythromycin Dehydratase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1159, 0.9200 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.997, 66.997, 186.238 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.550 - 1.850 |
| R-factor | 0.2003 |
| Rwork | 0.197 |
| R-free | 0.22692 |
| Structure solution method | SAD |
| Starting model (for MR) | A model generated by PHENIX from the anomalous bromine dataset |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.794 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.076 | 0.659 |
| Number of reflections | 37089 | |
| <I/σ(I)> | 42.5 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 295 | 2.15 M ammonium sulfate, 100 mM sodium cacodylate pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
