9CEL
Juvenimicin Thioesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.340, 95.666, 83.118 |
| Unit cell angles | 90.00, 93.67, 90.00 |
Refinement procedure
| Resolution | 45.620 - 2.270 |
| R-factor | 0.2041 |
| Rwork | 0.201 |
| R-free | 0.26160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.925 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.620 | 2.290 |
| High resolution limit [Å] | 2.260 | 2.270 |
| Number of reflections | 44988 | 1264 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 94.4 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.990 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mM MgCl2, 22% (w/v) polyacrylic acid 5100, 100 mM HEPES pH 7.5 |
