4F47
The Structure of Enoyl-CoA hydratase EchA19 from Mycobacterium marinum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 76.440, 76.440, 73.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.220 - 1.750 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rsi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.468 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.094 | 0.069 | 0.268 |
| Number of reflections | 25435 | 337 | 1841 |
| <I/σ(I)> | 12.8 | 25.46 | 3.64 |
| Completeness [%] | 99.8 | 98.8 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20mg/ml MymaA.01530.e.A1, 200mM potassium citrate, 20% PEG 3350, cryoprotection 20% ethylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
