3SWX
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.417, 77.582, 85.759 |
| Unit cell angles | 90.00, 123.61, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.1631 |
| Rwork | 0.161 |
| R-free | 0.20750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aio |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.381 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.098 | 0.068 | 0.258 |
| Number of reflections | 40439 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 99.8 | 99.7 | 99.3 |
| Redundancy | 5.5 | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | Protein: 27.9 mg/ml. Crystalant: 45% MPD, 0.1M BisTris pH 5.5, 0.2M Calcium chloride. Cryoprotection: 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
