8TS4
Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Experimental 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 | PIXEL |
Collection date | 2020-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 93.031, 93.031, 105.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.950 - 2.200 |
R-factor | 0.175 |
Rwork | 0.171 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.025 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.953 | 2.250 |
High resolution limit [Å] | 2.197 | 2.200 |
Number of reflections | 24294 | 1680 |
<I/σ(I)> | 18.4 | 3.5 |
Completeness [%] | 99.9 | |
Redundancy | 4 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M MgCl2 , 0.1 M Bis-Tris, pH 5.0, 20% 3350 |