2QXG
Crystal Structure of Human Kallikrein 7 in Complex with Ala-Ala-Phe-chloromethylketone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.603, 42.708, 84.882 |
| Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.600 |
| R-factor | 0.266 |
| Rwork | 0.266 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lo6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | 0.333 |
| Number of reflections | 14065 | |
| <I/σ(I)> | 15.4 | 4.2 |
| Completeness [%] | 91.6 | 89 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 25% PEG 3350, 2.5 M lithium sulfate, 0.1 M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
