3AFO
Crystal Structure of Yeast NADH Kinase complexed with NADH
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 | 2009-05-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 98.685, 132.782, 59.636 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.19974 |
| Rwork | 0.197 |
| R-free | 0.24383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2an1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.064 | 0.399 |
| Number of reflections | 59896 | |
| <I/σ(I)> | 16.8 | 5.92 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 15% 2-methyl-2,4-pentanediol, 5% PEG 4000, 100mM imidazole-HCl, 5mM NADH, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
