1SOI
CRYSTAL STRUCTURE OF NUDIX HYDROLASE DR1025 IN COMPLEX WITH SM+3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.171, 53.171, 121.972 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.600 - 1.800 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25100 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.266 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.344 |
| Number of reflections | 16652 | |
| <I/σ(I)> | 43.2 | 43.2 |
| Completeness [%] | 98.2 | 50 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | sodium acetate, sodium formate, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
