1Z34
Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 8-BM |
Synchrotron site | APS |
Beamline | 8-BM |
Wavelength(s) | 0.9766 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 136.800, 136.800, 136.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.940 - 2.400 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pke |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.940 | 2.550 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 15972 | |
Completeness [%] | 90.2 | 85.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG400, ethylene glycol, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |