1AVU
TRYPSIN INHIBITOR FROM SOYBEAN (STI)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | DIFFRACTOMETER |
Collection date | 1993-03 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.420, 58.080, 96.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tie |
RMSD bond length | 0.012 |
RMSD bond angle | 1.400 |
Data reduction software | FS (SCALING) |
Data scaling software | FSSCALE |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 * | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.045 | |
Total number of observations | 27868 * | |
Number of reflections | 10234 | |
Completeness [%] | 76.0 | 26.7 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | other * | 7.5 | Lee, J., (1993) Mol. Cells, 3, 335. * |