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) |