3P92
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.282, 39.222, 68.807 |
| Unit cell angles | 90.00, 100.28, 90.00 |
Refinement procedure
| Resolution | 33.851 - 1.599 |
| R-factor | 0.1148 |
| Rwork | 0.111 |
| R-free | 0.15860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r9p |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.907 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2008_09_13_0905) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.851 |
| High resolution limit [Å] | 1.599 |
| Rmerge | 0.032 |
| Number of reflections | 27380 |
| <I/σ(I)> | 39.8 |
| Completeness [%] | 88.9 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 25% PEG4000, 0.2M Na acetate and 100mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
