5BOD
Crystal structure of Streptococcus pneumonia ParE inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-16 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.402, 94.458, 60.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.000 - 2.200 |
| R-factor | 0.2088 |
| Rwork | 0.206 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4em7 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.690 |
| Data scaling software | SAINT (V8.30C) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.000 | 2.170 | |
| High resolution limit [Å] | 2.200 | 4.512 | 2.095 |
| Rmerge | 0.427 | ||
| Total number of observations | 139184 | ||
| Number of reflections | 12502 | ||
| <I/σ(I)> | 15.54 | 3.05 | |
| Completeness [%] | 97.9 | 97.9 | |
| Redundancy | 11.13 | 5.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M Sodium Acetate, 18-22% PEG3350 |
