3FP7
Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-03 |
Detector | Nonius Kappa CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.969, 91.969, 61.001 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.460 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tgi |
RMSD bond length | 0.005 |
RMSD bond angle | 1.380 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 51853 | |
<I/σ(I)> | 22.1 | 6.7 |
Completeness [%] | 99.8 | 98.4 |
Redundancy | 14.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 295 | 0.2M lithium sulfate, 0.1M tris, 34% (w/v) PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |