3LOD
The crystal structure of the putative acyl-CoA N-acyltransferase from Klebsiella pneumoniae subsp.pneumoniae MGH 78578
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-08 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.734, 86.734, 99.801 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.110 - 2.500 |
| R-factor | 0.22745 |
| Rwork | 0.226 |
| R-free | 0.26308 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.127 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.110 | 2.565 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.094 | 0.664 |
| Number of reflections | 7687 | |
| <I/σ(I)> | 37.11 | 1 |
| Completeness [%] | 99.1 | 92.98 |
| Redundancy | 21.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 0.1M Tris, 16% PEG4000, , pH 8.5, VAPOR DIFFUSION, SITTING DROP |
