2QXI
High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-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 | 2005-07-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.254, 56.953, 45.533 |
| Unit cell angles | 90.00, 101.37, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| Rwork | 0.131 |
| R-free | 0.15900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lo6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.336 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.640 | 1.050 |
| High resolution limit [Å] | 0.999 | 1.000 |
| Rmerge | 0.035 | 0.280 |
| Total number of observations | 38559 | |
| Number of reflections | 97071 | |
| <I/σ(I)> | 9.7 | 2.4 |
| Completeness [%] | 94.0 | 89.6 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 30% MPD, 0.1 M sodium cacodylate, 0.2 M magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
