4UOE
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline
Replaces: 4BNOExperimental 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 | 198.050, 134.616, 48.306 |
Unit cell angles | 90.00, 95.33, 90.00 |
Refinement procedure
Resolution | 29.530 - 2.050 |
R-factor | 0.20105 |
Rwork | 0.199 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i7c |
RMSD bond length | 0.019 |
RMSD bond angle | 1.917 |
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] | 29.540 | 2.100 |
High resolution limit [Å] | 2.040 | 2.050 |
Rmerge | 0.070 | 0.480 |
Number of reflections | 76132 | |
<I/σ(I)> | 14.13 | 3.15 |
Completeness [%] | 96.0 | 94.9 |
Redundancy | 3.25 | 3.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 27.5 % PEG 3350, 0.1 M MES PH 5.6, 0.1M AMMONIUM SULFATE |