1UOU
Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.990, 66.090, 96.870 |
| Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
| Resolution | 91.300 * - 2.100* |
| R-factor | 0.192 |
| Rwork | 0.188 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1brw CHAIN B |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.300 | 2.210 |
| High resolution limit [Å] | 2.100 * | 2.110 |
| Rmerge | 0.030 | 0.193 |
| Total number of observations | 32998 * | |
| Number of reflections | 15827 | |
| <I/σ(I)> | 15.5 | 1.8 |
| Completeness [%] | 63.7 | 11.2 |
| Redundancy | 2.1 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 15 * | 8% PEG 1000(W/V), 50MM MALATE/IMIDAZOLE PH 6.5,100MM MGCL2. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | pH7.4 |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | protein | 8 (mg/ml) | |
| 4 | 1 | reservoir | PEG1000 | 8 (%(w/v)) | |
| 5 | 1 | reservoir | malate/imidazole | 50 (mM) | pH6.5 |
| 6 | 1 | reservoir | 100 (mM) |
