5JF6
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor 6b (AB47)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-23 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.920, 66.280, 88.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.150 - 1.700 |
| R-factor | 0.14531 |
| Rwork | 0.144 |
| R-free | 0.17507 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aie |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.613 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.214 | |
| Number of reflections | 26790 | |
| <I/σ(I)> | 23.48 | 8.73 |
| Completeness [%] | 98.5 | 97.3 |
| Redundancy | 7.2 | 7.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 7% PEG-8000, 100mM imidazole pH7.0, 100mM Zn acetate |
