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 |