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 |
