4ICY
Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 65.970, 171.040, 212.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.500 - 2.400 |
| R-factor | 0.2015 |
| Rwork | 0.198 |
| R-free | 0.25927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | native PgaE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.341 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.500 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 23686 | |
| Completeness [%] | 99.5 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 2.0M ammonium sulphate, 0.1M MES-buffer, 2% V/V 1,4-dioxane, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
