8IAX
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with phosphoenolpyruvate and fructose 1,6-bisphosphate
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 | 2023-01-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 221.061, 86.644, 258.148 |
Unit cell angles | 90.00, 100.86, 90.00 |
Refinement procedure
Resolution | 48.370 - 1.800 |
R-factor | 0.18448 |
Rwork | 0.183 |
R-free | 0.22121 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.762 |
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] | 48.370 | 48.370 | 1.910 |
High resolution limit [Å] | 1.800 | 5.360 | 1.800 |
Rmerge | 0.063 | 0.034 | 1.029 |
Rmeas | 0.068 | 0.037 | 1.110 |
Number of reflections | 442679 | 17184 | 70550 |
<I/σ(I)> | 14.83 | ||
Completeness [%] | 99.6 | ||
Redundancy | 6.99 | ||
CC(1/2) | 0.999 | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 298 | 8%(w/v) PEG3350, 50mM Citric acid/Bis-Tris Propan(3.75:6.25) pH6.75, 10mM Na HEPES HCl pH7.5, 75mM NaCl, 10mM MgCl2, 50mM KCl, 5mM PEP, 10mM FBP |