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 |