6BO7
Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Replaces: 5HHUExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-10 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 55.784, 219.854, 254.139 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.168 - 2.856 |
R-factor | 0.2311 |
Rwork | 0.230 |
R-free | 0.25630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.835 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.168 | 2.900 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 73747 | 3627 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 5.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.3 M potassium thiocyanate, 0.1 M Bis-tris propane, pH 8.5. |