2HTE
The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 197.061, 134.600, 48.336 |
Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
Resolution | 33.080 - 2.000 |
R-factor | 0.18782 |
Rwork | 0.185 |
R-free | 0.23122 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ZDZ |
RMSD bond length | 0.018 |
RMSD bond angle | 1.628 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 82781 | |
<I/σ(I)> | 15.8 | 1.48 |
Completeness [%] | 97.8 | 81 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 291 | 25% w/v PEG3350, 0.1M Ammonium Sulphate, 0.1M Bis-Tris, 4 mM 5'-methylthioadenosine, pH 5.5, VAPOR DIFFUSION, temperature 291K |