1GT8
DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND URACIL-4-ACETIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.030, 159.530, 166.020 |
| Unit cell angles | 90.00, 97.16, 90.00 |
Refinement procedure
| Resolution | 29.750 - 3.300 |
| R-factor | 0.217 * |
| Rwork | 0.214 |
| R-free | 0.27300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DIHYDROPYRIMIDINE DEHYDROGENASE TERNARY COMPLEX WITH 5-IODOURACIL AND NADPH PH 7.5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.480 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.098 * | 0.463 |
| Number of reflections | 62722 | |
| <I/σ(I)> | 9.8 | 2.6 |
| Completeness [%] | 98.3 | 92.9 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.7 * | 293 * | Dobritzsch, D., (2001) Acta Crystallogr., 57, 153. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 17-22 (%(w/v)) | |
| 2 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | pH4.7 |
| 4 | 1 | drop | DPD | 4.5 (mg/ml) |
