6NKM
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.484, 117.194, 63.731 |
| Unit cell angles | 90.00, 107.44, 90.00 |
Refinement procedure
| Resolution | 48.758 - 1.896 |
| R-factor | 0.2755 |
| Rwork | 0.274 |
| R-free | 0.30620 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.760 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 112785 | |
| <I/σ(I)> | 12.8 | 0.7 |
| Completeness [%] | 97.2 | 91.3 |
| Redundancy | 6.9 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.75 | 293 | 18% PEG 3350, 200 mM NaCl, 50 mM BisTris pH 6.75, 2.5% ethylene glycol, 1 mM ZWP, 4 mM NADP+, 1% DMSO |
