4GAK
Crystal structure of acyl-ACP thioesterase from Spirosoma linguale
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.657, 61.657, 155.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.22360 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.674 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.111 | 0.619 |
| Number of reflections | 24494 | |
| <I/σ(I)> | 42.9 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297 | 0.1M MES, 1.26M Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
