4Y6P
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, 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 | 51.384, 55.759, 85.433 |
| Unit cell angles | 103.18, 102.83, 100.91 |
Refinement procedure
| Resolution | 48.470 - 1.900 |
| R-factor | 0.16655 |
| Rwork | 0.165 |
| R-free | 0.19615 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y67 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.376 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.470 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.095 | 0.542 |
| Number of reflections | 65358 | |
| <I/σ(I)> | 9.8 | 3 |
| Completeness [%] | 95.2 | 95 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03M MgCl2, 0.03M CaCl2, 0.1M MOPS/Hepes-Na pH 7.5 |
