6R8G
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-15 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.540 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.760, 106.890, 145.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.970 - 2.000 |
| R-factor | 0.21167 |
| Rwork | 0.210 |
| R-free | 0.23846 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nfr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.885 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 89246 | 14220 |
| <I/σ(I)> | 21.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.4 M trisodium citrate, 0.1 M Hepes |
