2UGI
PROTEIN MIMICRY OF DNA FROM CRYSTAL STRUCTURES OF THE URACIL GLYCOSYLASE INHIBITOR PROTEIN AND ITS COMPLEX WITH ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Detector | PRINCETON 2K |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.092, 59.387, 73.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.227 * |
| Rwork | 0.227 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UGI FROM THE HUMAN UDG:UGI CRYSTAL STRUCTURE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 25.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.067 * | 0.234 * |
| Total number of observations | 34065 * | |
| Number of reflections | 9493 * | 883 * |
| <I/σ(I)> | 19.7 | 6.2 |
| Completeness [%] | 95.3 * | 91.9 * |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.2 | 4 * | (NH4)2SO4, IMIDAZOLE, MALATE, (NH4)2SO4, pH 8.2, temperature 293.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | (NH4)2SO4 | ||
| 2 | 1 | 1 | IMIDAZOLE | ||
| 3 | 1 | 1 | MALATE | ||
| 4 | 1 | 2 | (NH4)2SO4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 84 (%sat) | |
| 2 | 1 | reservoir | imidazole/malate | 200 (mM) |
