2PT9
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine and the inhibitor cis-4-methylcyclohexylamine (4MCHA)
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 | 2006-12-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.043 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.240, 134.100, 48.350 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 19.770 - 2.200 |
| R-factor | 0.19831 |
| Rwork | 0.196 |
| R-free | 0.23883 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.086 | 0.346 |
| Number of reflections | 62364 | |
| <I/σ(I)> | 9.85 | 3.8 |
| Completeness [%] | 98.8 | 98.8 |
| Redundancy | 3.45 | 3.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 288 | 25% PEG3350, 0.1 M Ammonium Sulphate and 0.1 M Bis-Tris pH5.5, 2.5 mM dcAdoMet, 2.5 mM 4MCHA, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
