2CJC
Complexes of Dodecin with Flavin and Flavin-like Ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2004-04-12 |
Detector | MARRESEARCH |
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 - 1.850 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.169 |
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 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.090 | 0.670 |
Number of reflections | 10961 | |
<I/σ(I)> | 12.6 | 2.67 |
Completeness [%] | 99.1 | 99.8 |
Redundancy | 6.8 | 6.8 |
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 |