1JDT
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH MTA AND SULFATE ION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9023 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.600, 176.300, 87.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.222 * |
| Rwork | 0.222 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | native SsMTAP |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.257 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.487 |
| Total number of observations | 213837 * | |
| Number of reflections | 50489 | |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 95.2 | 72 * |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-10 (mg/ml) | |
| 2 | 1 | reservoir | dioxane | 28-30 (%) | |
| 3 | 1 | reservoir | MPD | 12 (%) | |
| 4 | 1 | reservoir | 0.12 (M) | ||
| 5 | 1 | reservoir | 0.04 (M) | ||
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) |
