5JF0
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Arg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.93950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.210, 65.430, 88.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.600 |
| R-factor | 0.17416 |
| Rwork | 0.173 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aie |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.165 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.328 | |
| Number of reflections | 31676 | |
| <I/σ(I)> | 20.07 | 5.4 |
| Completeness [%] | 97.8 | 96.6 |
| Redundancy | 6.02 | 6.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 6% PEG-8000, 100mM Na Cacodylate pH6.5, 300mM Zn acetate |
