2O9Q
The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-04-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.016, 63.451, 69.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.000 - 1.700 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sfi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.121 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.125 |
Number of reflections | 20777 | |
<I/σ(I)> | 21.5 | |
Completeness [%] | 90.1 | 86.1 |
Redundancy | 12.9 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.5MCaCl2, 0.5M (NH4)2SO4, 0.1M HEPEs-Na, 25% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |