5VPJ
The crystal structure of a thioesteras from Actinomadura verrucosospora.
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 | 2015-10-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.680, 96.358, 114.160 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 33.680 - 2.350 |
| R-factor | 0.1881 |
| Rwork | 0.186 |
| R-free | 0.22680 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.680 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.068 | 0.803 |
| Rpim | 0.041 | 0.477 |
| Number of reflections | 93028 | 4593 |
| <I/σ(I)> | 20 | 1.9 |
| Completeness [%] | 98.2 | 97.5 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Lithium Sulfate, 0.1 M Tris:HCl, 1.26 M Ammonium Sulfate |
