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. |
