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 |