9MGO
Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (citrate bound)
This is a non-PDB format compatible entry.
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 | 2024-10-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.708, 148.782, 92.987 |
| Unit cell angles | 90.00, 92.69, 90.00 |
Refinement procedure
| Resolution | 74.390 - 1.890 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.065 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5508) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 148.780 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.118 | 1.275 |
| Rmeas | 0.130 | 1.402 |
| Rpim | 0.053 | 0.574 |
| Total number of observations | 646415 | 47584 |
| Number of reflections | 111774 | 8279 |
| <I/σ(I)> | 11.1 | 1.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.8 | 5.7 |
| CC(1/2) | 0.998 | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 291 | Index D4: 0.1M Citric acid pH 3.5, 25% PEG 3350, TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. citrate acquired from the crystallant. plate 14433 well D4 drop 2 , Puck: PSL0912. Cryo: 20% Glycerol + 80% crystallant |
