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 |
