3F67
Crystal Structure of Putative Dienelactone Hydrolase 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 | 2008-10-05 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.385, 106.385, 53.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 1.740 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19800 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.547 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.850 | 1.780 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.109 | 0.866 |
| Number of reflections | 31820 | |
| <I/σ(I)> | 7.6 | 2.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M Li2SO4 0.1 M Tris pH 7.0 1.0 M K/Na tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
