2PSY
Crystal Structure of Human Kallikrein 5 in complex with Leupeptin and Zinc
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 | 2006-06-19 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.532, 66.543, 39.580 |
| Unit cell angles | 90.00, 95.14, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bdg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.043 | 0.345 |
| Number of reflections | 15429 | |
| <I/σ(I)> | 45.3 | 7.2 |
| Completeness [%] | 99.3 | 1 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 291 | 30% PEG-monomethyl ether, 200 mM ammomium sulfate, 100 mM MES,10 mM leupeptin, soaked with 10 mM zinc chloride, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 5.60 |
