2VKF
COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-13 |
| Detector | MARRESEARCH |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 141.704, 141.704, 141.704 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.030 - 1.700 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.458 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 171130 | |
| <I/σ(I)> | 19.8 | 4.1 |
| Completeness [%] | 95.4 | 79 |
| Redundancy | 12.7 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MGCL2, 2.0 M NACL, 0.1 M NA HEPES PH 7.5 AND 30% PEG400 |
