4KP7
Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.460, 78.120, 99.990 |
| Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.18806 |
| Rwork | 0.185 |
| R-free | 0.24871 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3AU8; IspC Plasmodium Apo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.533 |
| Number of reflections | 52039 | |
| <I/σ(I)> | 12.7 | 3 |
| Completeness [%] | 97.1 | 96.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 2% PEG4000, 100 mM NaAc, 15% MPD, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
