5JSQ
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[7-(phosphonoheptyl]guanine
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 | CCD |
Collection date | 2015-06-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95369 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 94.376, 108.787, 44.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.291 - 1.503 |
R-factor | 0.1615 |
Rwork | 0.161 |
R-free | 0.17810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tc2 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASES |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.291 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.112 | 0.891 |
Number of reflections | 73902 | |
<I/σ(I)> | 11.1 | 2 |
Completeness [%] | 99.8 | 91.6 |
Redundancy | 7.2 | 6.6 |
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 |