3T62
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean Sea anemone Stichodactyla helianthus in complex with bovine chymotrypsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.5 |
Spacegroup name | H 3 |
Unit cell lengths | 199.706, 199.706, 54.572 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.508 - 2.000 |
R-factor | 0.1913 |
Rwork | 0.190 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mtn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.088 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.216 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.087 | 0.043 |
Number of reflections | 55522 | |
<I/σ(I)> | 10.2 | 2.4 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M ammonium sulfate, 30% PEG8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |