5HN6
Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and 3-isopropylmalate
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 | 2014-05-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 80.161, 80.161, 142.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 142.890 - 2.500 |
| R-factor | 0.20178 |
| Rwork | 0.199 |
| R-free | 0.25126 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hn4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.537 |
| 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] | 142.890 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.087 | 0.567 |
| Number of reflections | 16850 | |
| <I/σ(I)> | 41.6 | 4 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES, sodium chloride, 2-methyl-2,4-pentanediol |
