2FF2
Crystal structure of Trypanosoma vivax nucleoside hydrolase co-crystallized with ImmucillinH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8131 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.190, 74.390, 73.960 |
| Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1HOZ |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.439 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.218 | 0.371 |
| Number of reflections | 31456 | |
| <I/σ(I)> | 9.12 | 4.08 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.6 M ammonium sulphate, 100 mM Tris pH 8.5, 215 microM Immucillin H , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
