2CIE
Complexes of Dodecin with Flavin and Flavin-like Ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2005-09-08 |
| Detector | ADSC CCD |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 142.390, 142.390, 142.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cc9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.146 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.110 | 0.580 |
| Number of reflections | 122830 | |
| <I/σ(I)> | 14.58 | 3.54 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 10.27 | 10.29 |
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 |
