3FCL
Complex of UNG2 and a fragment-based designed inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.108, 43.387, 70.684 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 27.270 - 1.700 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23700 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.191 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 3.380 | 1.570 |
| Rmerge | 0.039 | 0.035 | 0.767 |
| Number of reflections | 44162 | ||
| Completeness [%] | 73.5 | 91.3 | 5.7 |
| Redundancy | 2.3 | 2.4 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
