3OTJ
A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | NUCLEAR REACTOR |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2008-11-21 |
Detector | NEUTRON IMAGING PLATE |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 75.604, 85.361, 122.551 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.890 - 2.150 |
Rwork | 0.209 |
R-free | 0.22600 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | nCNS |
Refinement software | nCNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.890 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.144 | 0.363 |
Number of reflections | 20552 | |
<I/σ(I)> | 0.387 | |
Completeness [%] | 92.7 | 90.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 298 | (NH4)2SO4, CaCl2, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K | |
1 | 7.5 | 298 | (NH4)2SO4, CaCl2, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |