5LJI
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.92 |
Spacegroup name | H 3 |
Unit cell lengths | 101.676, 101.676, 68.285 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.000 - 2.070 |
R-factor | 0.18948 |
Rwork | 0.187 |
R-free | 0.22871 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 2.047 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | |
High resolution limit [Å] | 2.070 | |
Number of reflections | 15961 | |
<I/σ(I)> | 18.9 | 6.7 |
Completeness [%] | 99.2 | 99.6 |
Redundancy | 16 | 16.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 100mM Bis-Tris pH 5.5 and 200 mM calcium chloride, 10% glycerol,2 M ammonium sulphate. |