1JQ3
Crystal Structure of Spermidine Synthase in Complex with Transition State Analogue AdoDATO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-24 |
| Detector | SBC-1 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 132.519, 198.020, 51.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.800 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1inl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | d*TREK |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.076 | 0.556 * |
| Number of reflections | 126154 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 91.3 | 72.5 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 * | 21 * | PEG 4000, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 6 (%(w/v)) | |
| 2 | 1 | reservoir | sodium acetate | 50 (mM) | pH4.4 |
