5HN5
Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis complexed with Mn and isocitrate
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 | 80.372, 80.372, 141.063 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 141.060 - 2.550 |
R-factor | 0.20032 |
Rwork | 0.197 |
R-free | 0.25682 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hn4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.440 |
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] | 141.060 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.080 | 0.544 |
Number of reflections | 15751 | |
<I/σ(I)> | 41.2 | 3.3 |
Completeness [%] | 99.2 | 100 |
Redundancy | 7.7 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Tris, sodium chloride, 2-methyl-2,4-pentanediol |