4DK2
Crystal Structure of Open Trypanosoma brucei dUTPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.010, 47.020, 63.460 |
| Unit cell angles | 90.00, 89.38, 90.00 |
Refinement procedure
| Resolution | 42.050 - 1.470 |
| R-factor | 0.17933 |
| Rwork | 0.178 |
| R-free | 0.21068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ogl |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.439 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.050 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.072 | 0.493 |
| Number of reflections | 47254 | |
| <I/σ(I)> | 8.3 | 2.3 |
| Completeness [%] | 99.5 | 98.5 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 290 | 25% PEG1500, 0.1 M MMT buffer, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
