7KYO
PsaBC from Streptococcus pneumoniae in complex with Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.660, 241.700, 98.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.850 |
| R-factor | 0.23936 |
| Rwork | 0.238 |
| R-free | 0.27056 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nq2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.014 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.990 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Number of reflections | 34896 | 4212 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 98.2 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.999 | 0.691 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 50 mM Tris-HCl, pH 8.5, 28% v/v PEG400 |
