3TL1
Crystal structure of the Streptomyces coelicolor WhiE ORFVI polyketide aromatase/cyclase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-02-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.517, 40.488, 66.806 |
| Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.800 |
| R-factor | 0.1898 |
| Rwork | 0.183 |
| R-free | 0.25387 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.587 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.370 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 31201 | |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 277 | 0.1M Bis-Tris pH5.4, 0.2M magnesium chloride, 30% PEG3350, 5mM JRSi284 (ligand), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
