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 |