1UOG
Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-15 |
Detector | MARRESEARCH |
Spacegroup name | H 3 |
Unit cell lengths | 106.600, 106.600, 74.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.400 - 1.700 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rxf |
RMSD bond length | 0.025 |
RMSD bond angle | 2.365 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.400 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.046 | 0.186 |
Total number of observations | 192826 * | |
Number of reflections | 31415 | |
Completeness [%] | 91.0 | 99.5 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | Valegard, K., (1998) Nature, 394, 805. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 1.75 (M) | |
2 | 1 | 1 | 2-oxoglutarate | 5 (mM) | |
3 | 1 | 1 | HEPES | 0.1 (M) |