4UTP
Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed 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 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.239, 47.911, 101.524 |
| Unit cell angles | 90.00, 106.96, 90.00 |
Refinement procedure
| Resolution | 42.970 - 2.000 |
| R-factor | 0.22249 |
| Rwork | 0.221 |
| R-free | 0.26028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psz |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.969 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.670 |
| Number of reflections | 36157 | |
| <I/σ(I)> | 5.24 | 3.13 |
| Completeness [%] | 93.8 | 93.9 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 26-36 % PEG 400, 0.1 M NACL, 0.1 M TRIZMA-HCL PH 8.0 AND 0.1 M CDCL2 |
