8FX3
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2018-04-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97937 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.913, 80.336, 90.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.880 - 1.310 |
R-factor | 0.191 |
Rwork | 0.190 |
R-free | 0.20270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tc2 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.726 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.880 | 1.330 |
High resolution limit [Å] | 1.310 | 1.310 |
Rpim | 0.047 | 0.822 |
Number of reflections | 97932 | 2209 |
<I/σ(I)> | 19.9 | |
Completeness [%] | 93.1 | |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M lithium sulfate, 24% PEG3350, 0.1 M HEPES, pH 8.0 |