2ANY
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 138 |
| Detector technology | CCD |
| Collection date | 2004-09-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.187, 57.359, 79.846 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.400 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Enzymatically deglycosylated plasma kallikrein protease domain PDB ENTRY 2ANW |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | XTALVIEW |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.460 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.043 | 0.206 |
| Number of reflections | 49687 | |
| <I/σ(I)> | 24.6 | 4 |
| Completeness [%] | 98.9 | 94.8 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 0.5 microliter of the protein solution and 0.5 microliter of the reservoir solution (25% PEG 6000, 0.10 M MES pH 6.5) , VAPOR DIFFUSION, SITTING DROP, temperature 290.0K |
