6DKH
The crystal structure of L-idonate 5-dehydrogenase from Escherichia coli str. K-12 substr. MG1655
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97894 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.055, 77.646, 128.350 |
| Unit cell angles | 90.00, 92.62, 90.00 |
Refinement procedure
| Resolution | 38.987 - 2.608 |
| R-factor | 0.2028 |
| Rwork | 0.200 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3j |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.450 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.640 |
| High resolution limit [Å] | 2.608 | 2.608 |
| Rmerge | 0.097 | 0.764 |
| Rmeas | 0.115 | 0.901 |
| Rpim | 0.061 | 0.475 |
| Number of reflections | 45516 | 2268 |
| <I/σ(I)> | 14.5 | 1.4 |
| Completeness [%] | 96.9 | 98.1 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 0.1M Tris, 28% PEG4000, 2.5 mM NADPH |
