3NH3
Complex of 6-hydroxy-L-nicotine oxidase with final ketone product formed during catalytic turnover
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 163.051, 163.051, 163.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.220 - 2.100 |
| R-factor | 0.16077 |
| Rwork | 0.159 |
| R-free | 0.20372 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 3K7M |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.369 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.116 | 0.704 |
| Number of reflections | 43679 | |
| <I/σ(I)> | 20 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.5 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20mM Sodium phosphate; 4M sodium formiate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
