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 |