4CXM
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal
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 | 2013-12-13 |
| Detector | MARRESEARCH 65 MM |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.900, 134.400, 48.300 |
| Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
| Resolution | 44.940 - 1.750 |
| R-factor | 0.18083 |
| Rwork | 0.179 |
| R-free | 0.21554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7c |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.180 |
| 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] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.530 |
| Number of reflections | 124715 | |
| <I/σ(I)> | 14.98 | 2.29 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 2.7 | 3.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 27 % PEG 3350, 0.1 M MES PH 5.5, 0.1 M AMMONIUM SULPHATE |
