8IAT
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 212.051, 118.353, 99.820 |
Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
Resolution | 48.300 - 1.800 |
R-factor | 0.20103 |
Rwork | 0.199 |
R-free | 0.24584 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.556 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.300 | 48.300 | 1.910 |
High resolution limit [Å] | 1.800 | 5.360 | 1.800 |
Rmerge | 0.090 | 0.070 | 0.869 |
Rmeas | 0.097 | 0.075 | 0.939 |
Number of reflections | 215295 | 8279 | 34449 |
<I/σ(I)> | 10.84 | ||
Completeness [%] | 99.7 | ||
Redundancy | 6.96 | ||
CC(1/2) | 0.996 | 0.996 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1% Tacsimate pH 6.0, 50mM BIS-TRIS pH 6.5, 10%PEG3350, 10mM Na HEPES HCl pH7.5, 75mM NaCl, 10mM MgCl2, 50mM KCl, 10mM Oxalate |