3ZPP
Structure of the Streptococcus pneumoniae surface protein and adhesin PfbA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.840, 140.650, 128.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.440 - 2.280 |
| R-factor | 0.21045 |
| Rwork | 0.208 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.666 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.400 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.130 | 0.500 |
| Number of reflections | 26446 | |
| <I/σ(I)> | 6.7 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 12% (W/V) 10K POLYETHYLENE GLYCOL, 80 MM MG DIFORMATE (C2H2MGO4) AND BIS-TRIS-HCL (PH 5.5) |
