3EPW
Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8051 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.449, 73.728, 81.147 |
| Unit cell angles | 90.00, 75.18, 90.00 |
Refinement procedure
| Resolution | 26.860 - 1.300 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1HOZ (with flexible parts removed) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.295 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.860 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.080 | 0.370 |
| Number of reflections | 138694 | |
| <I/σ(I)> | 26.2 | 2.7 |
| Redundancy | 6.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25 % PEG3350, 0.1 M Bis-Tris, 0.2 M MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
