1PJL
Crystal structure of human m-NAD-ME in ternary complex with NAD and Lu3+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 113.300, 119.000, 125.900 |
| Unit cell angles | 116.50, 94.80, 102.80 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.900 |
| Rmerge | 0.053 |
| Total number of observations | 306727 * |
| Number of reflections | 105876 |
| Completeness [%] | 0.8 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 4 * | 100 mM Hepes, 6% PEG8000, 5% MPD, 0.5 mM LuCl3, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 10 | 1 | reservoir | tartronate | 10 (mM) | |
| 11 | 1 | reservoir | 0.5 (mM) | ||
| 12 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 2 | 1 | drop | Tris | 15 (mM) | pH7.4 |
| 3 | 1 | drop | 120 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 6 (mM) | |
| 5 | 1 | drop | EDTA | 0.2 (mM) | |
| 6 | 1 | drop | NAD+ | 3 (mM) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
| 8 | 1 | reservoir | PEG8000 | 6 (%) | |
| 9 | 1 | reservoir | MPD | 5 (%) |
