1KQO
Crystal structure of NMN/NaMN adenylyltransferase complexed with deamido-NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.245, 90.391, 137.673 |
| Unit cell angles | 90.00, 117.17, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.210 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.530 * |
| 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 | |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 * | 0.403 * |
| Total number of observations | 275083 * | |
| Number of reflections | 95507 | |
| Completeness [%] | 95.9 | 96.4 * |
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) |
