5LJL
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 | P 21 21 21 |
| Unit cell lengths | 29.871, 60.707, 61.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.800 - 1.600 |
| R-factor | 0.17375 |
| Rwork | 0.173 |
| R-free | 0.21532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lji |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.874 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 1.600 | |
| Rmerge | 0.102 | 0.703 |
| Number of reflections | 15310 | |
| <I/σ(I)> | 13.9 | 2.7 |
| Completeness [%] | 99.2 | 99.5 |
| Redundancy | 9.9 | 9.6 |
| CC(1/2) | 0.998 | 0.810 |
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, and 10% glycerol |
