4CWA
Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine
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] | 110 |
| Detector technology | CCD |
| Collection date | 2012-09-28 |
| Detector | MARRESEARCH 165 MM |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.498, 134.380, 48.277 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 26.630 - 2.020 |
| R-factor | 0.20693 |
| Rwork | 0.205 |
| R-free | 0.24102 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.935 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.940 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 108674 | |
| <I/σ(I)> | 12.85 | 2.96 |
| Completeness [%] | 97.9 | 94.2 |
| Redundancy | 3.13 | 3.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 27 % PEG 3350, 0.1 M MES PH 5.5, 0.1 M AMMONIUMSULPHATE |
