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 |