1EMJ
URACIL-DNA GLYCOSYLASE BOUND TO DNA CONTAINING A 4'-THIO-2'DEOXYURIDINE ANALOG PRODUCT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-12-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.554, 64.853, 96.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| R-free | 0.25700 |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.480 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.131 | 0.464 |
| Total number of observations | 150204 * | |
| Number of reflections | 21491 | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.99 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 | 298 | PEG 4000, HEPES buffer, NaCl, dioxane, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES buffer | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | dioxane | ||
| 4 | 1 | 1 | DTT | ||
| 5 | 1 | 1 | PEG 4000 | ||
| 6 | 1 | 2 | PEG 4000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 20 (%) | |
| 2 | 1 | reservoir | HEPES | 100 (mM) | |
| 3 | 1 | reservoir | 10 (%) | ||
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) |
