2F91
1.2A resolution structure of a crayfish trypsin complexed with a peptide inhibitor, SGTI
Replaces: 1YR4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.283, 59.673, 97.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.100 - 1.200 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1H4W TRUNCATED TO POLYALANINE |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.100 | 1.230 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.060 | 0.200 |
Number of reflections | 69145 | |
<I/σ(I)> | 7.1 | 3.3 |
Completeness [%] | 91.1 | 51.8 |
Redundancy | 3.4 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 30% PEG 400, 0.1 M CD CHLORIDE, 0.1 M NA ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K |