1INC
CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS
Experimental procedure
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.100, 58.000, 75.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 * - 1.760* |
R-factor | 0.172 * |
Rwork | 0.172 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.800 |
Refinement software | EREF |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 1.760 * | 1.760 * |
Rmerge | 0.068 * | |
Total number of observations | 48138 * | |
Number of reflections | 17309 * | |
Completeness [%] | 44.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 5 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | inhibitor | 15 (mg/ml) | |
2 | 1 | 1 | ethyl ether | ||
3 | 1 | 1 | protein | 2 (%(w/v)) | |
4 | 1 | 1 | sodium azide | 0.02 (%(w/v)) | |
5 | 1 | 1 | sodium acetate | 0.1 (M) | |
6 | 1 | 2 | sodium sulfate | 0.1 (M) |