3UQ9
Adenosine kinase from Schistosoma mansoni in complex with tubercidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-02-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.556, 180.509, 78.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.638 - 2.343 |
R-factor | 0.1741 |
Rwork | 0.171 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.784 |
Data reduction software | XDS |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.480 | |
High resolution limit [Å] | 2.340 | 6.660 | 2.340 |
Rmerge | 0.071 | 0.024 | 0.352 |
Number of reflections | 35262 | ||
<I/σ(I)> | 11.82 | 33.47 | 2.38 |
Completeness [%] | 96.6 | 88 | 88.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM Bis-tris pH 6.1-6.7, 200mM LiSO4, 16-20% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |