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 |