2FR1
The first ketoreductase of the erythromycin synthase (crystal form 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-05-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.043, 42.939, 61.044 |
| Unit cell angles | 90.03, 103.81, 100.71 |
Refinement procedure
| Resolution | 42.140 - 1.790 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.25700 |
| Structure solution method | SAD |
| Starting model (for MR) | Ab Initio |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.140 | 1.870 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.061 | 0.320 |
| Number of reflections | 36130 | |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 94.2 | 84.7 |
| Redundancy | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 1.5 mg/mL, 5.05 mM HEPES, 75 mM NaCl, 0.5 mM DTT, 17.5% PEG3350, 0.1 M guanidinium hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
