5NMX
Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD and NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.076, 76.082, 81.669 |
| Unit cell angles | 71.81, 81.64, 82.04 |
Refinement procedure
| Resolution | 77.130 - 1.600 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xve |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.130 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.081 | 0.827 |
| Number of reflections | 213235 | |
| <I/σ(I)> | 39.3 | |
| Completeness [%] | 96.1 | 47.5 |
| Redundancy | 4.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | TRIS-HCl, MgCl2, PEG3350, NADP+ |
