1KQN
Crystal structure of NMN/NaMN adenylyltransferase complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 130.816, 90.879, 136.585 |
| Unit cell angles | 90.00, 116.85, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| Rwork | 0.218 |
| R-free | 0.25000 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 * | 0.465 |
| Total number of observations | 435916 * | |
| Number of reflections | 132989 | |
| <I/σ(I)> | 12.9 | 1.9 |
| Completeness [%] | 91.8 | 84.8 |
| Redundancy | 3.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 20 * | Na Formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | pH7.2 |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | drop | dithiothreitol | 2 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | Brij-35 | 0.03 (%) | |
| 7 | 1 | drop | NAD | 10 (mM) | |
| 8 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.2-4.6 |
| 9 | 1 | reservoir | sodium formate | 1.6-1.8 (M) |
