4HMO
Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with Bis-tris propane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.644, 63.442, 135.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.357 - 2.000 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.23250 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.966 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.594 | |
| Number of reflections | 26299 | |
| <I/σ(I)> | 3.71 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 289 | 2.4M sodium malonate, 0.1M Bis-tris propane, pH 7.0, VAPOR DIFFUSION, temperature 289K |
