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 |