2O1A
Crystal structure of iron-regulated surface determinant protein A from Staphylococcus aureus- targeted domain 47...188
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-14 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.186, 82.141, 91.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.070 - 1.600 |
| R-factor | 0.16869 |
| Rwork | 0.167 |
| R-free | 0.20098 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.434 |
| Number of reflections | 26135 | |
| <I/σ(I)> | 46.2 | |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 0.1 M Citrate, 2.0 M Ammonium sulfate, pH 3.5, VAPOR DIFFUSION, SITTING DROP |
