8R3R
Transketolase from Streptococcus pneumoniae in complex with thiamin pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-14 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9676 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.760, 119.130, 136.680 |
| Unit cell angles | 90.00, 106.46, 90.00 |
Refinement procedure
| Resolution | 34.050 - 2.350 |
| R-factor | 0.1574 |
| Rwork | 0.154 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.977 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.050 | 2.400 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 118040 | 7205 |
| <I/σ(I)> | 10.78 | |
| Completeness [%] | 98.5 | |
| Redundancy | 7.07 | |
| CC(1/2) | 0.991 | 0.853 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5 M Li2Cl2, 0.1 M Tris pH 8.5, 28 % (w/v) PEG 6000 |
