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 |