4DG4
Human mesotrypsin-S39Y 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 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.529, 109.949, 81.116 |
Unit cell angles | 90.00, 116.82, 90.00 |
Refinement procedure
Resolution | 30.200 - 1.400 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.21140 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASES |
Refinement software | PHENIX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.200 |
High resolution limit [Å] | 1.400 |
Number of reflections | 172055 |
<I/σ(I)> | 14.4 |
Completeness [%] | 98.8 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |