3K7T
Crystal structure of apo-form 6-hydroxy-L-nicotine oxidase, crystal form P3121
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 | 2002-12-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 122.957, 122.957, 199.918 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.600 - 2.850 |
| R-factor | 0.27776 |
| Rwork | 0.275 |
| R-free | 0.32118 |
| Structure solution method | MOLREP |
| Starting model (for MR) | 3k7m |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.781 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.078 | 0.750 |
| Number of reflections | 41084 | |
| <I/σ(I)> | 25.3 | 2 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M Hepes, 1.5M lithium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
