3QK8
Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand
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 | 2010-12-21 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.990, 129.530, 78.610 |
| Unit cell angles | 90.00, 108.57, 90.00 |
Refinement procedure
| Resolution | 48.883 - 1.600 |
| R-factor | 0.138 |
| Rwork | 0.137 |
| R-free | 0.16400 |
| Structure solution method | MR |
| Starting model (for MR) | 1wz8 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.633 |
| 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] | 48.883 | 1.640 | |
| High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
| Rmerge | 0.045 | 0.013 | 0.314 |
| Number of reflections | 181397 | 2105 | 12092 |
| <I/σ(I)> | 23.92 | 77.7 | 4 |
| Completeness [%] | 98.4 | 98.8 | 88.7 |
| Redundancy | 4.5256 | 3.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | Internal tracking number 218997A9. JCSG screen condition A9: 20% PEG3350, 0.2 M ammonium chloride. MymaA.00829.b.A1 PS00862 at 43.78mg/ml., pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
