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 |