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 |