4UTO
Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2013-12-13 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.737, 59.292, 62.468 |
| Unit cell angles | 106.86, 104.90, 93.37 |
Refinement procedure
| Resolution | 19.730 - 1.550 |
| Rwork | 0.181 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zka |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.331 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.730 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.130 | 0.730 |
| Number of reflections | 73161 | |
| <I/σ(I)> | 8.6 | 1.9 |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | 12.5 % (W/V) PEG 1000, 12.5% (W/V) PEG 3350, 12.5% (V/V) MPD, 0.1 M TRIZMA-BICINE, PH 8.7 AND 0.01 M CDCL2 |
