5JO0
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.94572 |
Spacegroup name | P 1 |
Unit cell lengths | 51.755, 55.951, 85.619 |
Unit cell angles | 103.44, 103.03, 100.49 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.17749 |
Rwork | 0.176 |
R-free | 0.20640 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5JAZ (lc51) |
RMSD bond length | 0.008 |
RMSD bond angle | 1.239 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.110 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.081 | 0.710 |
Number of reflections | 77884 | |
<I/σ(I)> | 7.4 | 1.7 |
Completeness [%] | 95.3 | 94.9 |
Redundancy | 3.1 | 3.1 |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% PEG 4000, 20% glycerol 0.1M MOPS/HEPES-Na pH 7.5 0.03M of each NPS (0.3M sodium nitrate, 0.3M disodium hydrogen phosphate, 0.3M ammonium sulfate) |