4I4J
The structure of SgcE10, the ACP-polyene thioesterase involved in C-1027 biosynthesis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.416, 184.526, 59.401 |
| Unit cell angles | 90.00, 95.60, 90.00 |
Refinement procedure
| Resolution | 39.160 - 2.784 |
| R-factor | 0.215 |
| Rwork | 0.211 |
| R-free | 0.27000 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.604 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.784 | 2.800 |
| Number of reflections | 30094 | |
| <I/σ(I)> | 10.4 | 1.9 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | 289 | 0.2 M ammonium tartrate dibasic pH 6.6, 20 %(v/v) PEG3350, temperature 289K |
