3CJP
Crystal structure of an uncharacterized amidohydrolase CAC3332 from Clostridium acetobutylicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.628, 77.273, 72.661 |
| Unit cell angles | 90.00, 96.09, 90.00 |
Refinement procedure
| Resolution | 9.970 - 1.850 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.24100 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.061 | 0.033 | 0.315 |
| Number of reflections | 87364 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 99.0 | 97.1 | 95.5 |
| Redundancy | 2.1 | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.2M Li sulfate, 0.1 M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
