3RIE
The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-10 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.800, 134.590, 48.460 |
| Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hte |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.100 |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.096 | 0.522 |
| Number of reflections | 98147 | |
| <I/σ(I)> | 18.47 | 3.92 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 293 | 25% PEG 3350, 0.1M ammonium sulfate, 0.1M 2-(N-morpholino) ethanesulfonic acid, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
