4I73
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312
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 1 21 1 |
| Unit cell lengths | 63.170, 131.670, 71.850 |
| Unit cell angles | 90.00, 91.33, 90.00 |
Refinement procedure
| Resolution | 71.830 - 2.180 |
| R-factor | 0.2025 |
| Rwork | 0.200 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.559 |
| 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] | 72.000 | 2.240 | |
| High resolution limit [Å] | 2.180 | 9.750 | 2.180 |
| Rmerge | 0.138 | 0.026 | 0.671 |
| Rmeas | 0.031 | 0.786 | |
| Number of reflections | 61007 | 698 | 4374 |
| <I/σ(I)> | 9.06 | 33.84 | 1.96 |
| Completeness [%] | 99.7 | 98.2 | 97.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.3 | 292 | 0.1M Tris, 19% PEGMME2000, 10mM Ni2SO4, pH 7.3, Vapor diffusion, temperature 292K |
