8IAS
Crystal structure of Streptococcus pneumoniae pyruvate kinase
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 | 2021-11-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | P 1 |
Unit cell lengths | 75.094, 84.705, 107.012 |
Unit cell angles | 101.22, 96.82, 91.42 |
Refinement procedure
Resolution | 49.070 - 2.000 |
R-factor | 0.17996 |
Rwork | 0.178 |
R-free | 0.21519 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.465 |
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] | 49.070 | 49.070 | 2.120 |
High resolution limit [Å] | 2.000 | 5.950 | 2.000 |
Rmerge | 0.087 | 0.042 | 0.785 |
Rmeas | 0.102 | 0.049 | 0.929 |
Number of reflections | 168397 | 6367 | 27098 |
<I/σ(I)> | 9.78 | ||
Completeness [%] | 96.7 | ||
Redundancy | 3.58 | ||
CC(1/2) | 0.997 | 0.998 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 50mM Sodium citrate pH5.5, 11% PEG1000, 10mM Na HEPES pH7.5, 75mM NaCl |