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 |
