3KRZ
Crystal Structure of the Thermostable NADH4-bound 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 | 87.380, 98.556, 95.134 |
| Unit cell angles | 90.00, 92.40, 90.00 |
Refinement procedure
| Resolution | 31.690 - 1.800 |
| R-factor | 0.157 |
| Rwork | 0.157 |
| R-free | 0.19397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 97.590 | 65.230 | 1.580 |
| High resolution limit [Å] | 1.501 | 4.740 | 1.500 |
| Rmerge | 0.065 | 0.034 | 0.395 |
| Total number of observations | 22965 | 28024 | |
| Number of reflections | 229398 | ||
| <I/σ(I)> | 10.6 | 16.8 | 1.9 |
| Completeness [%] | 91.8 | 95.5 | 57.9 |
| Redundancy | 2.7 | 3 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 50mM Magnesium formate, pH 7.0, vapor diffusion, temperature 298K |
