3H81
Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Collection date | 2009-04-01 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 133.853, 130.947, 102.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dub |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.056 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.600 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 0.549 |
| Number of reflections | 80982 | |
| <I/σ(I)> | 21.8 | 2.69 |
| Completeness [%] | 97.5 | 81.9 |
| Redundancy | 7.1 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Wizard Full condition F6: 0.1 M Tris, 20% PEG 3000, 0.2 M CaCl2, crystal ID 208527F6, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
