3QV9
Crystal structure of Trypanosoma cruzi pyruvate kinase(TcPYK)in complex with ponceau S.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.200, 121.826, 96.540 |
| Unit cell angles | 90.00, 109.81, 90.00 |
Refinement procedure
| Resolution | 90.820 - 2.100 |
| R-factor | 0.20051 |
| Rwork | 0.198 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.917 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.820 | 90.820 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.118 | 0.092 | 0.104 |
| Number of reflections | 70435 | ||
| <I/σ(I)> | 9.4 | 23.5 | 2.4 |
| Completeness [%] | 100.0 | 100 | 98 |
| Redundancy | 6.3 | 9.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 7 16% PEG 8,000, 20 mM TEA buffer (pH 7.2), 50 mM MgCl2, 100 mM KCl and 10-25% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
