3OUM
Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2398 |
| Spacegroup name | H 3 |
| Unit cell lengths | 111.008, 111.008, 57.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.219 |
| R-free | 0.25670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | structure from MAD data using a different mutant |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.442 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.072 |
| Number of reflections | 17131 | |
| <I/σ(I)> | 5 | |
| Completeness [%] | 89.3 | 99.9 |
| Redundancy | 6.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 295 | 0.1M CAPS, 0.2M LiSO4, 1.2M NaH2PO4/0.8M K2HPO4, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
