2R9P
Human mesotrypsin 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 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.222, 109.717, 81.171 |
| Unit cell angles | 90.00, 117.15, 90.00 |
Refinement procedure
| Resolution | 25.600 - 1.400 |
| R-factor | 0.1704 |
| Rwork | 0.170 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1H4W and 2PTC |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.914 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.081 | 0.840 |
| Number of reflections | 221478 | |
| <I/σ(I)> | 15.275 | 3.2 |
| Completeness [%] | 97.8 | 96.2 |
| Redundancy | 4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 298 | 1.6M ammonium sulfate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
