3BH2
Structural Studies of Acetoacetate Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 104.070, 104.070, 578.094 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.790 - 2.400 |
| R-factor | 0.20064 |
| Rwork | 0.196 |
| R-free | 0.24429 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.283 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.093 | 0.354 |
| Number of reflections | 47172 | |
| <I/σ(I)> | 13 | 2.4 |
| Completeness [%] | 98.3 | 93.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.95 | 281 | 40mM Phosphate buffer pH 5.95, 100mM Sarcosine, 15% PEG 3350, 18% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
