5CR8
Structure of the membrane-binding domain of pneumolysin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 48.680, 47.680, 97.539 |
| Unit cell angles | 90.00, 101.39, 90.00 |
Refinement procedure
| Resolution | 46.500 - 2.050 |
| R-factor | 0.2263 |
| Rwork | 0.224 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cr6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.946 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.500 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 13832 | |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG 2K MME containing 100 mM Potassium thiocyanate |
