1K27
Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition State Analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 122.231, 122.231, 44.743 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.20700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1cg6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.064 * | 0.386 * |
| Total number of observations | 167189 * | |
| Number of reflections | 28021 | |
| <I/σ(I)> | 14.6 | 3.6 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 18 * | PEG 6000, Spermidine, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | spermidine | 100 (mM) | |
| 3 | 1 | reservoir | Tris | 100 (mM) | pH8.0 |
| 4 | 1 | reservoir | PEG6000 | 20 (%) |
