1BA7
SOYBEAN TRYPSIN INHIBITOR
Experimental procedure
Source type | ROTATING ANODE |
Source details | ELLIOTT |
Temperature [K] | 291 |
Detector technology | DIFFRACTOMETER |
Collection date | 1993-09 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 1 |
Unit cell lengths | 39.110, 53.870, 58.200 |
Unit cell angles | 71.75, 90.00, 82.98 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.16 |
Rwork | 0.160 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tie |
RMSD bond length | 0.007 |
RMSD bond angle | 28.800 * |
Data reduction software | CCP4 |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.063 | 0.181 |
Number of reflections | 14369 | 1914 * |
<I/σ(I)> | 9.5 | 6.1 |
Completeness [%] | 93.7 | 88.6 |
Redundancy | 2.7 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | 291 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | reservoir | phosphate | 1.4 (M) | |
3 | 1 | reservoir | dioxane | 2.5 (%(v/v)) | |
4 | 1 | reservoir | PEG400 | 1.25 (%(v/v)) |