4I71
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.360, 72.350, 133.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 133.300 - 1.280 |
| R-factor | 0.1269 |
| Rwork | 0.126 |
| R-free | 0.14670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kic |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.744 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 133.300 | 133.000 | 1.320 |
| High resolution limit [Å] | 1.280 | 5.740 | 1.280 |
| Rmerge | 0.048 | 0.038 | 0.264 |
| Rmeas | 0.043 | 0.353 | |
| Number of reflections | 78467 | 993 | 3472 |
| <I/σ(I)> | 16.64 | 34.86 | 2.84 |
| Completeness [%] | 95.8 | 95.6 | 57.8 |
| Redundancy | 3.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 292 | 0.1M Tris, 19% PEGMME2000, 10mM Ni2SO4, pH 8.0, VAPOR DIFFUSION, temperature 292K |
