3BWC
Crystal structure of spermidine synthase from Trypanosoma cruzi in complex with SAM at 2.3 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-30 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.080, 99.943, 69.991 |
Unit cell angles | 90.00, 106.26, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.20593 |
Rwork | 0.203 |
R-free | 0.25912 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bwb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.269 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.094 | 0.427 |
Number of reflections | 25208 | |
<I/σ(I)> | 13.5 | 3.7 |
Completeness [%] | 97.2 | 95.2 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 0.1 M Potassium phosphate, 0.04 M Tris-HCl pH 8.0, 0.06 M Tris-HCl pH 9.0, 34% PEG 4000, 2 mM SAM, 5 mM BME, VAPOR DIFFUSION, SITTING DROP, temperature 277K |