9TME
Structure of Plasmodium falciparum Transketolase in complex with Oxythiamine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 114.388, 142.810, 176.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 110.942 - 1.813 |
| Rwork | 0.181 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.516 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.942 | 1.884 |
| High resolution limit [Å] | 1.810 | 1.813 |
| Number of reflections | 260015 | 12557 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.2 | |
| Redundancy | 13.7 | |
| CC(1/2) | 0.995 | 0.395 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.2M potassium citrate diabasic monohydrate, 20% PEG3350 |
