3MOY
Crystal structure of probable enoyl-CoA hydratase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Detector technology | CCD |
| Collection date | 2010-04-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 63 |
| Unit cell lengths | 84.880, 84.880, 63.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.290 - 1.500 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h81 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.296 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.290 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.038 | 0.609 |
| Number of reflections | 41710 | 3082 |
| <I/σ(I)> | 32.7 | 3.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.07 | 8.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | JCSG+ screen condition D7, 40% PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4 with 20% ethylene glycol as cryo-protectant, 41.4 mg/mL protein in Tris buffer with 0.3 M NaCl and 10% glycerol, crystal tracking ID 215265d7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
