8G1Y
Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-01-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.464, 81.413, 139.465 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 29.290 - 1.430 |
| R-factor | 0.1578 |
| Rwork | 0.157 |
| R-free | 0.17690 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.381 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.078 | 0.853 |
| Rmeas | 0.087 | 0.960 |
| Rpim | 0.039 | 0.434 |
| Number of reflections | 167626 | 8061 |
| <I/σ(I)> | 19.5 | 1.9 |
| Completeness [%] | 94.4 | 90.6 |
| Redundancy | 4.8 | 4.4 |
| CC(1/2) | 0.995 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 8.5 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3, 2mM PLP; Screen: Classics II (B11), 2.1M DL-Malic acid pH 7.0; Cryo: 25% glycerol in screen solution. |
