3MGD
Crystal Structure of predicted acetyltransferase with acetyl-CoA from Clostridium acetobutylicum at the resolution 1.9A, Northeast Structural Genomics Consortium Target CaR165
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-03 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.933, 56.341, 99.721 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 28.690 - 1.900 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22770 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.317 |
| Number of reflections | 48682 | |
| <I/σ(I)> | 19.6 | 5.6 |
| Completeness [%] | 99.7 | 98.6 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M HEPES, 10% PEG8000, 10 mM CoA, microbatch under oil, temperature 293K |
