1AVW
COMPLEX PORCINE PANCREATIC TRYPSIN/SOYBEAN TRYPSIN INHIBITOR, ORTHORHOMBIC CRYSTAL FORM
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE AREA DETECTOR |
| Collection date | 1994-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.910, 62.330, 151.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.750 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1MCT FOR TRYPSIN AND PDB ENTRY 1TIE FOR THE INHIBITOR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.320 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.078 | |
| Total number of observations | 419433 * | |
| Number of reflections | 52687 | |
| Completeness [%] | 92.0 | 68.6 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.67 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG400 | 30 (%(v/v)) | |
| 2 | 1 | reservoir | lithium sulfate | 100 (mM) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) |
