1EUW
ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-28 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 85.742, 85.742, 61.749 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.700 - 1.050 |
| R-factor | 0.1406 |
| Rwork | 0.141 |
| R-free | 0.16380 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.037 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.059 | 0.280 |
| Number of reflections | 79044 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.2 * | 277 | Thimerasol (Na ethyl Hg thiosalicylate), Bis-Tris, pH 6.2, PEG 8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | succinate | 5 (mM) | |
| 2 | 1 | 1 | sodium ethylmercurythiosalicylate | 100 (mM) | |
| 3 | 1 | 2 | protein | 3 (mg/ml) | |
| 4 | 1 | 2 | Bis-Tris | 10 (mM) | |
| 5 | 1 | 2 | PEG8000 | 1.5 (%) |
