4Q1I
Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.910, 85.880, 126.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.700 - 2.100 |
| R-factor | 0.19819 |
| Rwork | 0.195 |
| R-free | 0.25194 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.020 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 54.600 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 52523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M MES/0.1 M HEPES 18% Peg8K, 20% ethylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
