4O9E
Crystal structure of QdtA, a sugar 3,4-ketoisemerase from Thermoanaerobacterium thermosaccharolyticum in complex with TDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-09 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 95.788, 95.788, 94.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.830 - 2.000 |
R-factor | 0.19895 |
Rwork | 0.197 |
R-free | 0.23946 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pa7 |
RMSD bond length | 0.006 |
RMSD bond angle | 2.390 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.830 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.069 | 0.282 |
Number of reflections | 28352 | |
<I/σ(I)> | 18.5 | 3.7 |
Completeness [%] | 98.2 | 97.9 |
Redundancy | 6.5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 22-28% pentaerythritol propoxylate, 100 mM HEPPS, 10 mM TDP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |