1YLI
Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase
Replaces: 1NNGExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.5545 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 163.676, 163.676, 163.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.680 - 1.950 |
| R-factor | 0.184 |
| Rwork | 0.180 |
| R-free | 0.22700 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.619 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.02) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 29132 | |
| <I/σ(I)> | 17 | 1.5 |
| Completeness [%] | 98.3 | 83.4 |
| Redundancy | 19.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4000, bicine, calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4000, bicine, calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4000, bicine, calcium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
