1JDZ
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B 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 | 102.600, 176.900, 87.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.231 * |
Rwork | 0.231 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | native complex |
RMSD bond length | 0.007 |
RMSD bond angle | 1.308 |
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 | 0.096 | 0.315 |
Total number of observations | 261441 * | |
Number of reflections | 53563 | |
<I/σ(I)> | 5.9 | 2 |
Completeness [%] | 99.4 | 97.8 |
Redundancy | 4.9 |
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) |