5JF7
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289
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 | 2010-01-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.470, 65.970, 89.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.660 - 2.100 |
| R-factor | 0.1568 |
| Rwork | 0.154 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aie |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.311 |
| 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 | 2.220 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.322 | |
| Number of reflections | 26386 | |
| <I/σ(I)> | 12.04 | 3.99 |
| Completeness [%] | 94.8 | 86.3 |
| Redundancy | 3.2 | 3.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13% PEG-8000, 100mM Imidazole pH6.5, 400mM Zn acetate |
