3HIO
Crystal structure of Ricin A-chain 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 | 2008-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.081 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.632, 68.632, 134.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.557 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.200 | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.059 | 0.037 | 0.523 |
| Number of reflections | 22257 | ||
| <I/σ(I)> | 30.077 | ||
| Completeness [%] | 98.9 | 95.3 | 97.6 |
| Redundancy | 8.2 | 7.9 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 25% PEG2000, 0.2M Lithium sulfate, 0.1M Sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
