3TGJ
S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 92.660, 92.660, 62.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.200 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.24000 |
Structure solution method | OTHER |
RMSD bond length | 0.006 |
RMSD bond angle | 27.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.106 * | 0.405 * |
Total number of observations | 37016 * | |
Number of reflections | 15555 | |
<I/σ(I)> | 10 | 2.3 |
Completeness [%] | 97.3 | 90.5 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8.5 | 24% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7 (mg/ml) | |
2 | 1 | drop | 10 (mM) | ||
3 | 1 | reservoir | PEG4000 | 24 (%) | |
4 | 1 | reservoir | 0.2 (M) | ||
5 | 1 | reservoir | Tris-HCl | 0.1 (M) |