4HGC
Crystal structure of bovine trypsin complexed with sfti-1 analog containing a peptoid residue at position p1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8148 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.120, 64.140, 70.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.740 - 1.290 |
R-factor | 0.12714 |
Rwork | 0.126 |
R-free | 0.15670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sfi |
RMSD bond length | 0.018 |
RMSD bond angle | 1.978 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.170 | 1.360 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.057 | 0.804 |
Number of reflections | 67689 | |
<I/σ(I)> | 16.5 | 2 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 7.2 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 2.3 M ammonium sulphate, 1 mM benzamidine and 0.1 M Mes, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |