1F2S
CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION
Replaces: 1MCUExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 297 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-26 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.760, 55.550, 74.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.790 |
| R-factor | 0.181 |
| Rwork | 0.177 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppe |
| RMSD bond length | 0.007 |
| RMSD bond angle | 26.100 * |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.082 | 0.213 |
| Number of reflections | 20741 | |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 86.3 | 63.4 |
| Redundancy | 5.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 22 * | drop consists of equal volume of protein and precipitant solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | beta-trypsin | 12.8 (mg/ml) | |
| 2 | 1 | drop | MCTI-A | 2.2 (mg/ml) | |
| 3 | 1 | drop | Tris-HCl | 11 (mM) | |
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | reservoir | sodium phosphate | 0.1 (M) | precipitant |
| 6 | 1 | reservoir | PEG6000 | 20 (%) | precipitant |
