3HIW
Crystal structure of Saporin-L1 in complex with the cyclic tetranucleotide inhibitor, a transition state analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.555, 52.573, 54.369 |
| Unit cell angles | 78.87, 66.32, 80.58 |
Refinement procedure
| Resolution | 19.640 - 1.800 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.325 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.041 | 0.023 | 0.216 |
| Number of reflections | 44853 | ||
| <I/σ(I)> | 18.983 | ||
| Completeness [%] | 97.1 | 98.6 | 95.6 |
| Redundancy | 1.9 | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 20% PEG2000MME, 0.1M sodium acetate, 0.4M potassium thiocyanate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
