2J0F
Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MAR345 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.078, 76.087, 99.575 |
| Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
| Resolution | 102.060 - 2.310 |
| R-factor | 0.248 |
| Rwork | 0.246 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uou |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.247 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | |
| Number of reflections | 63091 | |
| <I/σ(I)> | 18.2 | |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 8.6 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% GLYCEROL, 20% PEG3350, pH 7.00 |
