8XW9
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and UDP
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 | 2023-12-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 81.464, 81.464, 398.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.730 - 1.750 |
R-factor | 0.16174 |
Rwork | 0.160 |
R-free | 0.19057 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.783 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.740 | 40.740 | 1.850 |
High resolution limit [Å] | 1.750 | 5.210 | 1.750 |
Rmerge | 0.057 | 0.024 | 0.936 |
Rmeas | 0.063 | 0.027 | 1.024 |
Number of reflections | 136776 | 5687 | 21665 |
<I/σ(I)> | 16.01 | ||
Completeness [%] | 99.5 | ||
Redundancy | 6 | ||
CC(1/2) | 0.999 | 0.999 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 10mM HEPES pH7.5, 75mM NaCl, 125mM KCl, 10mM Tris-HCl pH7.0, 14% PEG4000, 10mM Oxalate, 10mM FBP, 5mM UDP |