3KRU
Crystal Structure of the Thermostable Old Yellow Enzyme from Thermoanaerobacter pseudethanolicus E39
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.925, 97.376, 94.388 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 64.820 - 1.600 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.295 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 94.491 | 65.230 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
| Rmerge | 0.064 | 0.034 | 0.351 |
| Total number of observations | 18783 | 84027 | |
| Number of reflections | 204058 | ||
| <I/σ(I)> | 11.7 | 16.9 | 2.1 |
| Completeness [%] | 98.9 | 95 | 99.9 |
| Redundancy | 2.8 | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 298 | 0.1M Na acetate, 0.1M CaCl2, 20% isopropanol, 12% ethylene glycol, pH 4.6, vapor diffusion, temperature 298K |
