8XW7
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and ADP
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 | 2023-10-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 123.184, 255.539, 88.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.210 - 2.100 |
R-factor | 0.18815 |
Rwork | 0.186 |
R-free | 0.22684 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.657 |
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] | 47.220 | 47.220 | 2.220 |
High resolution limit [Å] | 2.100 | 6.240 | 2.100 |
Rmerge | 0.067 | 0.026 | 0.938 |
Rmeas | 0.071 | 0.028 | 0.998 |
Number of reflections | 81724 | 3305 | 13044 |
<I/σ(I)> | 19.63 | ||
Completeness [%] | 100.0 | ||
Redundancy | 9.2 | ||
CC(1/2) | 1.000 | 1.000 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 10mM HEPES pH7.5, 250mM NaCl, 75mM KCl, 20% PEG1000, 5% glycerol, 50mM tricine pH8.0, 10mM Oxalate, 10mM FBP, 5mM ADP |