4AN7
Kunitz type trypsin inhibitor complex with porcine trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 61.084, 67.120, 91.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 2.230 |
| R-factor | 0.20189 |
| Rwork | 0.200 |
| R-free | 0.24583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1avw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.361 |
| Data reduction software | HKL-2000 |
| Data scaling software | DENZO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 17821 | |
| <I/σ(I)> | 11.8 | 2 |
| Completeness [%] | 93.0 | 40.3 |
| Redundancy | 3.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M AMMONIUM PHOSPHATE, 20% PEG3350 |
