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+ |