4I72
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with Immucillin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.750, 130.980, 63.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.920 - 2.050 |
| R-factor | 0.1801 |
| Rwork | 0.177 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.562 |
| 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] | 47.920 | 2.100 | |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.098 | 0.022 | 0.690 |
| Rmeas | 0.024 | 0.743 | |
| Number of reflections | 38963 | 504 | 2831 |
| <I/σ(I)> | 18.39 | 59.09 | 3.03 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.2 | 292 | 0.1M Tris, 22% PEGMME2000, 10mM NiSO4, pH 7.2, VAPOR DIFFUSION, temperature 292K |
