9C5I
Trypanosoma cruzi beta-3-HBDH APO structure (C2 space group)
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.610, 80.060, 122.220 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 47.790 - 2.800 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.495 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.790 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.132 | 0.673 |
| Number of reflections | 27427 | 2048 |
| <I/σ(I)> | 12.3 | 2.2 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.986 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.2 M NaCl, 20% PEG3350 |
