1JKI
myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 123 |
| Detector technology | CCD |
| Collection date | 2001-03-20 |
| Detector | SBC |
| Wavelength(s) | 0.97942 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.728, 98.309, 121.855 |
| Unit cell angles | 90.00, 126.09, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.200 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.27600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MIP synthase PDB 1JKF |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.758 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.082 * | 0.304 * |
| Number of reflections | 76517 | |
| <I/σ(I)> | 13.9 | 4.6 |
| Completeness [%] | 94.9 * | 96.3 * |
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 |
