5CR6
Structure of pneumolysin at 1.98 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.006, 127.710, 172.285 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.071 - 1.980 |
| R-factor | 0.2494 |
| Rwork | 0.248 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3r |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.803 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.100 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 42799 | |
| <I/σ(I)> | 39.7 | 5.84 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 6.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100 mM Tris/Bicine pH 8.5 containing 30 mM CaCl2 30 mM MgCl2, 20% glycerol, 14% PEG 4K |
