4QQA
Crystal structure of pneumolysin from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.722, 159.931, 209.358 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.773 - 2.802 |
| R-factor | 0.1952 |
| Rwork | 0.189 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pfo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.221 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.800 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.096 | 0.251 |
| Number of reflections | 19629 | |
| <I/σ(I)> | 8.3 | 2.8 |
| Completeness [%] | 89.9 | 79 |
| Redundancy | 3.7 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1M Bicine-Tris, 30% (v/v) GOL_P4K, 0.1M carboxylic acids, 0.7% 1-butanol , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
