4Y67
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, 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 | PSI PILATUS 6M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.570, 56.465, 86.024 |
| Unit cell angles | 104.11, 103.25, 100.16 |
Refinement procedure
| Resolution | 48.650 - 1.600 |
| R-factor | 0.17807 |
| Rwork | 0.177 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3au8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.329 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.970 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.478 |
| Number of reflections | 110454 | |
| <I/σ(I)> | 8.2 | 2.1 |
| Completeness [%] | 94.2 | 90.3 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02M each of sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine, 0.1M mes/imidazole pH 6.5 |
