5HN3
Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis (apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-01-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.102, 91.447, 175.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.000 - 1.700 |
R-factor | 0.20187 |
Rwork | 0.200 |
R-free | 0.23848 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x0l |
RMSD bond length | 0.014 |
RMSD bond angle | 1.540 |
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] | 88.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.081 | 0.474 |
Number of reflections | 52021 | |
<I/σ(I)> | 31.9 | 2.8 |
Completeness [%] | 99.5 | 100 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium chloride, imidazole |