2RA3
Human cationic trypsin 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 | 2006-10-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.95 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.183, 186.546, 90.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.130 - 1.460 |
| R-factor | 0.1539 |
| Rwork | 0.153 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1TRN and 2PTC |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.793 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.144 | 1.540 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.057 | 0.465 |
| Number of reflections | 115118 | |
| <I/σ(I)> | 19.5 | 1.9 |
| Completeness [%] | 87.1 | 46.8 |
| Redundancy | 7.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris hydrochloride pH 8.5, 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
