9MI2
Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (C2 form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-26 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.269, 50.364, 175.485 |
| Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
| Resolution | 48.250 - 1.800 |
| R-factor | 0.1654 |
| Rwork | 0.164 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.999 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5533) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.250 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.102 | 0.872 |
| Rmeas | 0.113 | 0.968 |
| Rpim | 0.050 | 0.416 |
| Total number of observations | 705878 | 35407 |
| Number of reflections | 136883 | 6707 |
| <I/σ(I)> | 9 | 1.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 0.996 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 291 | Berkeley C8: 20% (w/v) PEG 3350, 100 mM magnesium chloride, 100 mM NaCl, TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. plate 14462 well C8 drop 1, Puck: PSL1411. Cryo: 20% Glycerol + 80% crystallant |
