4YFI
TNNI3K complexed with inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-07-30 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.069, 115.682, 92.015 |
| Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
| Resolution | 37.820 - 2.700 |
| R-factor | 0.2175 |
| Rwork | 0.215 |
| R-free | 0.26080 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.275 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 500.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.075 | 0.040 | 0.466 |
| Total number of observations | 185934 | ||
| Number of reflections | 50917 | ||
| <I/σ(I)> | 18.7 | ||
| Completeness [%] | 97.2 | 98.5 | 95.8 |
| Redundancy | 3.7 | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.3 M NaK tartrate, 0.1M HEPES pH7 |
