6B5J
TNNI3K complexed with a 4,6-diaminopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-05-05 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.615, 108.193, 92.650 |
| Unit cell angles | 90.00, 94.71, 90.00 |
Refinement procedure
| Resolution | 92.450 - 2.970 |
| R-factor | 0.2038 |
| Rwork | 0.201 |
| R-free | 0.25790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.654 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.450 | 3.040 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.110 | 0.570 |
| Number of reflections | 34379 | 1955 |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 99.7 | 79.1 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 283 | 15% tascimate, 0.1M Hepes pH 7, 2% PEG3350 |
