5JF3
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT018
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.070, 65.490, 88.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.410 - 1.600 |
| R-factor | 0.18723 |
| Rwork | 0.186 |
| R-free | 0.21406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aie |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.357 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.896 | |
| Number of reflections | 60836 | |
| <I/σ(I)> | 9.13 | 1.72 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.79 | 3.66 |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 7% PEG-8000, 100mM imidazole pH7.5, 300mM Zn acetate |
