4Y6R
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, 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 | 2014-11-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.399, 54.852, 85.208 |
| Unit cell angles | 89.64, 105.40, 107.61 |
Refinement procedure
| Resolution | 47.080 - 1.900 |
| R-factor | 0.18904 |
| Rwork | 0.187 |
| R-free | 0.21789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y67 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.364 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.080 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.148 | 0.798 |
| Number of reflections | 64132 | |
| <I/σ(I)> | 9.2 | 2 |
| Completeness [%] | 95.5 | 95 |
| Redundancy | 5.5 | 5.7 |
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 5502, 0.02M each of D-glucose, D- mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine, 0.1 M mes/imidazole pH 6.5 |
