6APS
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3 diyl)bis(oxy)]bis(methylene))diphosphonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.013, 93.885, 44.715 |
| Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
| Resolution | 42.575 - 1.762 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jsq |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.561 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.940 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rpim | 0.087 | 0.561 |
| Number of reflections | 44556 | 2210 |
| <I/σ(I)> | 8.2 | 1.5 |
| Completeness [%] | 98.9 | 85.8 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 25% PEG 3350, 0.2 M lithium sulfate and 0.1 M Bis-Tris |
