4Y6S
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.396, 54.963, 85.054 |
| Unit cell angles | 89.41, 105.52, 107.28 |
Refinement procedure
| Resolution | 47.150 - 2.100 |
| R-factor | 0.21859 |
| Rwork | 0.217 |
| R-free | 0.25242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.150 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.085 | 0.335 |
| Number of reflections | 46811 | |
| <I/σ(I)> | 10.7 | 3.7 |
| Completeness [%] | 93.9 | 91.3 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10% w/v PEG 20,000 20% v/v PEG MME 550, 0.02M each of sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine, 0.1M mes/imidazole pH 6.5 |
