1K4M
Crystal structure of E.coli nicotinic acid mononucleotide adenylyltransferase complexed to 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 | 2001-06-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 114.830, 113.930, 115.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4k |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 1.610 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | |
| High resolution limit [Å] | 1.900 | |
| Rmerge | 0.056 * | 0.355 * |
| Total number of observations | 180068 * | |
| Number of reflections | 57802 | |
| Completeness [%] | 95.5 | 67.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 20 * | Na citrate, NaCl, Tris, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | HEPES | 50 (mM) | pH7.2 |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | NaAD | 5 (mM) | |
| 6 | 1 | reservoir | Tris | 0.1 (M) | pH7.0 |
| 7 | 1 | reservoir | 0.2 (M) | ||
| 8 | 1 | reservoir | sodium citrate | 0.8 (M) |
