1GZU
Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex with NMN
Replaces: 1GRYExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-17 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 140.800, 235.700, 89.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.248 |
| Rwork | 0.246 |
| R-free | 0.29100 * |
| Structure solution method | SAD |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 1.719 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.070 | 0.492 |
| Total number of observations | 632186 * | |
| Number of reflections | 62691 | 5937 * |
| <I/σ(I)> | 11.2 | 1.1 |
| Completeness [%] | 98.3 | 92.5 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 293 * | Werner, E., (2002) Acta Crystallogr., D58, 140. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 10 | 1 | reservoir | 2-propanol | 5 (%) | |
| 2 | 1 | drop | ammonium sulfate | 70 (mM) | |
| 3 | 1 | drop | imidazole | 100 (mM) | |
| 4 | 1 | drop | 300 (mM) | ||
| 5 | 1 | drop | 1 (mM) | ||
| 6 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 7 | 1 | drop | NAD+ | 1 (mM) | |
| 8 | 1 | reservoir | sodium potassium phosphate | 1.9 (M) | |
| 9 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7.5 |
