4Y4Q
Crystal structure of sortase B from Type II pilus of Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0045 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.150, 101.140, 143.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.315 - 2.162 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qps |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.127 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.310 | 2.240 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.475 | |
| Number of reflections | 27931 | |
| <I/σ(I)> | 9.33 | 2.43 |
| Completeness [%] | 95.7 | 83.41 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 2.4 M Sodium Formate, 0.1 M Citric Acid |
