9C5J
Trypanosoma cruzi beta-3-HBDH APO structure (P43212 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 PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.930, 71.930, 229.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.510 - 2.690 |
| R-factor | 0.237 |
| Rwork | 0.236 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.494 |
| 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] | 46.510 | 2.710 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.077 | 0.951 |
| Number of reflections | 18576 | 1339 |
| <I/σ(I)> | 16.4 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Sodium Citrate, 20% PEG 3350 |
