2VKG
COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-20 |
| Detector | MARRESEARCH |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 142.030, 142.030, 142.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.750 - 1.800 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccc |
| RMSD bond length | 0.890 |
| RMSD bond angle | 1.547 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.580 |
| Number of reflections | 107589 | |
| <I/σ(I)> | 19.2 | 3.4 |
| Completeness [%] | 97.1 | 96.7 |
| Redundancy | 9.2 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MGCL2, 2 M NACL, 0.1 M HEPES, 30% PEG400, PH7.5 |
