4O9G
Crystal structure of the H51N mutant of the 3,4-ketoisomerase QdtA from Thermoanaerobacterium thermosaccharolyticum in complex with TDP-4-keto-6-deoxyglucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-19 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 95.396, 95.396, 94.643 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.970 - 1.900 |
R-factor | 0.20258 |
Rwork | 0.201 |
R-free | 0.24078 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o9e |
RMSD bond length | 0.009 |
RMSD bond angle | 1.347 |
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] | 50.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.079 | 0.374 |
Number of reflections | 33577 | |
<I/σ(I)> | 14.9 | 1.9 |
Completeness [%] | 95.7 | 87.1 |
Redundancy | 7.7 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 28-33% pentaerythritol propoxylate, 100 mM HEPPS, VAPOR DIFFUSION, HANGING DROP, temperature 293K |