3CK2
Crystal structure of conserved uncharacterized protein (predicted phosphoesterase COG0622) from Streptococcus pneumoniae TIGR4
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 | 2007-02-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97920 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 112.467, 112.467, 112.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.880 - 2.300 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.20300 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.546 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.143 | 0.719 |
| Number of reflections | 10635 | |
| <I/σ(I)> | 7.2 | 4.1 |
| Completeness [%] | 99.6 | 92.5 |
| Redundancy | 21.1 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 1.0M K/Na Tartrate, Tris-HCl pH 7.0, 0.1M Lithium sulfate, 2mM MnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
