3I2X
Crystal structure of a chimeric trypsin inhibitor having reactive site loop of ETI on the scaffold of WCI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.804, 40.159, 121.553 |
| Unit cell angles | 90.00, 101.33, 90.00 |
Refinement procedure
| Resolution | 19.870 - 2.850 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eyl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.900 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.850 |
| Rmerge | 0.096 |
| Number of reflections | 7552 |
| <I/σ(I)> | 2.35 |
| Redundancy | 2.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
