2I7C
The crystal structure of spermidine synthase from p. falciparum in complex with AdoDATO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 198.168, 134.685, 48.500 |
| Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
| Resolution | 35.920 - 1.710 |
| R-factor | 0.17624 |
| Rwork | 0.175 |
| R-free | 0.19384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hte |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Number of reflections | 126855 | |
| <I/σ(I)> | 25.7 | 2.74 |
| Completeness [%] | 93.8 | 51 |
| Redundancy | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 23% w/v PEG3350, 0.1M Ammonium Sulphate, 0.1M Bis-Tris, 15% glycerol, 1 mM AdoDATO (S-adenosyl-1,8-diamino-3-thiooctane), pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
