1W2O
Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 139.100, 139.100, 48.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.640 - 3.000 |
R-factor | 0.276 |
Rwork | 0.272 |
R-free | 0.33400 |
Structure solution method | OTHER |
RMSD bond length | 0.013 |
RMSD bond angle | 1.794 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.100 | 0.290 |
Number of reflections | 11128 | |
<I/σ(I)> | 20 | 4 |
Completeness [%] | 96.9 | 92.9 |
Redundancy | 10 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 100 MM HEPES PH 8, 0.9-1.1 M AMSO4 |