7SB7
Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
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 | 2020-07-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.95373 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.908, 93.983, 44.274 |
Unit cell angles | 90.00, 109.13, 90.00 |
Refinement procedure
Resolution | 46.992 - 2.647 |
R-factor | 0.201972691184 |
Rwork | 0.196 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jv5 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.559 |
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] | 46.992 | 2.742 |
High resolution limit [Å] | 2.647 | 2.647 |
Number of reflections | 13024 | 1255 |
<I/σ(I)> | 11.42 | |
Completeness [%] | 98.9 | |
Redundancy | 7.5 | |
CC(1/2) | 0.980 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M zinc acetate, 0.1 M sodium cadodylate, pH 6.5,10% 2-propanol. INDEX screen |