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 |
