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 |