1JDU
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRANDEIS |
| Wavelength(s) | 1.023 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.600, 175.500, 87.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.184 * |
| Rwork | 0.184 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.225 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.075 | 0.327 |
| Total number of observations | 73267 * | |
| Number of reflections | 27294 | |
| <I/σ(I)> | 11.8 | 3.5 |
| Completeness [%] | 95.5 | 87.4 |
| Redundancy | 2.7 |
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) |
