4DG4
Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI)
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 | 73.529, 109.949, 81.116 |
| Unit cell angles | 90.00, 116.82, 90.00 |
Refinement procedure
| Resolution | 30.200 - 1.400 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.21140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.200 |
| High resolution limit [Å] | 1.400 |
| Number of reflections | 172055 |
| <I/σ(I)> | 14.4 |
| Completeness [%] | 98.8 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
