2CCB
Complexes of Dodecin with Flavin and Flavin-like Ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2003-11-25 |
Detector | ADSC CCD |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 142.040, 142.040, 142.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.650 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cc6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.406 |
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 | 20.000 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.080 | 0.610 |
Number of reflections | 15454 | |
<I/σ(I)> | 20.2 | 4.1 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 10.1 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.50 |