3NUG
Crystal structure of wild type tetrameric pyridoxal 4-dehydrogenase from Mesorhizobium loti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-29 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.638, 50.695, 94.551 |
| Unit cell angles | 90.00, 89.29, 90.00 |
Refinement procedure
| Resolution | 34.573 - 1.788 |
| R-factor | 0.1549 |
| Rwork | 0.152 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ndr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.127 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.788 | 1.800 |
| Number of reflections | 73944 | |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 96.5 | 92.3 |
| Redundancy | 6.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1M Sodium acetate, 0.1M Tris-HCl, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |
