2PT6
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine
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 | 2006-12-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.043 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 196.300, 134.180, 48.320 |
Unit cell angles | 90.00, 94.38, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.000 |
R-factor | 0.18217 |
Rwork | 0.180 |
R-free | 0.21407 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i7c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.302 |
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 | 2.051 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.720 | 0.269 |
Number of reflections | 80780 | |
<I/σ(I)> | 13.67 | 5.25 |
Completeness [%] | 96.1 | 100 |
Redundancy | 3.22 | 3.22 |
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, 2.5 mM dcAdoMet, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |