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 |