5JF2
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT002
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.300, 65.540, 88.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.460 - 2.000 |
| R-factor | 0.16605 |
| Rwork | 0.164 |
| R-free | 0.20019 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aie |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.475 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.396 | |
| Number of reflections | 31403 | |
| <I/σ(I)> | 10.22 | 3.07 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.21 | 3.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 5% PEG-8000, 100mM Imidazole pH7.5, 300mM Zn acetate |
