4YFF
TNNI3K complexed with inhibitor 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-05-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.447, 106.071, 93.239 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.070 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.231 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.200 |
| High resolution limit [Å] | 3.060 | 8.540 | 3.060 |
| Rmerge | 0.099 | 0.039 | 0.779 |
| Total number of observations | 103684 | ||
| Number of reflections | 30089 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.1 | 92.2 | 99.9 |
| Redundancy | 3.4 | 2.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 8% PEG3350, 0.1M ammonium sulfate, and 0.1M Hepes pH 7.0 |
