5HN4
Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and homoisocitrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-28 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 113.669, 113.669, 143.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 143.230 - 2.640 |
| R-factor | 0.20206 |
| Rwork | 0.201 |
| R-free | 0.22033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hn3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.555 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 143.230 | 2.690 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.085 | 0.594 |
| Number of reflections | 28294 | |
| <I/σ(I)> | 41.8 | 3.9 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2-propanol, HEPES, sodium chloride |
