2CC6
Complexes of Dodecin with Flavin and Flavin-like Ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2002-11-25 |
Detector | ADSC CCD |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 141.720, 141.720, 141.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.270 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mog |
RMSD bond length | 0.009 |
RMSD bond angle | 1.188 |
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 | 1.320 |
High resolution limit [Å] | 1.320 | 1.300 |
Rmerge | 0.090 | 0.650 |
Number of reflections | 28949 | |
<I/σ(I)> | 11.5 | 3.2 |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 6.8 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 2.0 M NACL,0.2 M MGCL2,0.1 M NA, HEPES 30% (W/V) PEG400, pH 7.50 |