4ZU5
Crystal structure of the QdtA 3,4-Ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-13 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 93.742, 93.742, 95.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.810 - 1.800 |
| R-factor | 0.20649 |
| Rwork | 0.205 |
| R-free | 0.23662 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o9e |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.934 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.353 |
| Number of reflections | 37504 | |
| <I/σ(I)> | 44.5 | 1.7 |
| Completeness [%] | 93.5 | 87.1 |
| Redundancy | 12.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 18-22% pentaerythrivol propoxylate (5/4), 100 mM Homo-pipes |
