3E0R
Crystal structure of cppA protein from Streptococcus pneumoniae TIGR4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-09 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.742, 130.741, 91.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.19277 |
| Rwork | 0.189 |
| R-free | 0.25632 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.758 |
| 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] | 40.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.151 | 0.555 |
| Number of reflections | 62250 | |
| <I/σ(I)> | 9.5 | 2 |
| Completeness [%] | 97.7 | 83.4 |
| Redundancy | 4.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.01M sodium citrate 33% PEG 6000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
