7TUX
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-03 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.437, 111.199, 173.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.470 - 1.620 |
| R-factor | 0.1708 |
| Rwork | 0.170 |
| R-free | 0.19470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ozf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.406 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 173.650 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.060 | 1.070 |
| Number of reflections | 128959 | 6298 |
| <I/σ(I)> | 16.9 | 1.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.4 | 6 |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 200 mM Lithium Acetate, 20% PEG3350 |
