2CCC
Complexes of Dodecin with Flavin and Flavin-like Ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2004-11-27 |
| Detector | ADSC CCD |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 142.850, 142.850, 142.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cc6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.402 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.650 |
| Number of reflections | 22864 | |
| <I/σ(I)> | 20.7 | 3.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.2 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 2 M NACL, 0.2 M MGCL2, 0.1 M NA, HEPES 30% (W/V), PEG400, pH 7.50 |
