2BML
Ofloxacin-like antibiotics inhibit pneumococcal cell wall degrading virulence factors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.670, 94.480, 38.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.600 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.270 |
| Number of reflections | 9193 | |
| <I/σ(I)> | 8.6 | 2.6 |
| Completeness [%] | 87.1 | 91.5 |
| Redundancy | 4.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | CRYSTALS WERE GROWN FROM A 12 MG/ML PROTEIN SOLUTION OVER A WELL SOLUTION CONTAINING 2M AMMONIUM SULPHATE AND 2% (W/V) PEG 400 BUFFERED WITH 0.1M HEPES (PH 7.5). |
