5F8Z
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
Replaces: 4ZJ4Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 |
| Unit cell lengths | 90.279, 90.279, 57.623 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.18116 |
| Rwork | 0.179 |
| R-free | 0.21747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2any |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.413 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 78.180 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 42363 |
| <I/σ(I)> | 14.2 |
| Completeness [%] | 99.4 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 28% PEG 3350, 0.1M TRIS-HCL PH8.5, 20MM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
