4BP1
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine
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 | 2012-11-28 |
| Detector | MARRESEARCH 165 MM |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 200.760, 134.970, 48.600 |
| Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
| Resolution | 28.650 - 2.170 |
| R-factor | 0.18257 |
| Rwork | 0.180 |
| R-free | 0.23066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.059 |
| 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] | 28.650 | 2.310 |
| High resolution limit [Å] | 2.170 | 2.180 |
| Rmerge | 0.120 | 0.670 |
| Number of reflections | 67848 | |
| <I/σ(I)> | 10.99 | 2.18 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 3.42 | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 27.5% PEG 3350, 0.1 M MES, 0.1 M AMMONIUM SULFATE |
