5NMW
Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD
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 | 2013-08-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.874, 76.277, 80.884 |
| Unit cell angles | 71.96, 81.45, 81.21 |
Refinement procedure
| Resolution | 76.460 - 1.890 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.21910 |
| 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] | 76.500 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.073 | 0.643 |
| Number of reflections | 119135 | |
| <I/σ(I)> | 8.7 | 2 |
| Completeness [%] | 90.2 | 62.8 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | TRIS-HCl, MgCl2, PEG3350 |
