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 |