1P1H
Crystal structure of the 1L-myo-inositol/NAD+ complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.794, 185.581, 94.078 |
| Unit cell angles | 90.00, 114.77, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.950 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.260 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.950 | 1.900 |
| Rmerge | 0.064 * | 0.422 * |
| Total number of observations | 214444 * | |
| Number of reflections | 203310 | |
| Completeness [%] | 96.6 | 99.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 * | 298 | J., Stein. A., (2000) Acta Crystallogr., Sect.D, 56, 348. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | ammonium acetate | 20 (mM) | |
| 3 | 1 | drop | Tris | 10 (mM) | |
| 4 | 1 | drop | beta-mercaptoethanol | 10 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 2-5 (%(v/v)) | |
| 6 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.5 |
