2PWA
Crystal Structure of the complex of Proteinase K with Alanine Boronic acid at 0.83A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | X11 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2006-11-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.302, 67.302, 106.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.830 |
| R-factor | 0.1202 |
| Rwork | 0.120 |
| R-free | 0.13630 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.021 |
| RMSD bond angle | 0.055 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.890 | 0.840 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Number of reflections | 220399 | |
| <I/σ(I)> | 40.7 | 4.1 |
| Completeness [%] | 95.7 | 92.9 |
| Redundancy | 27.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | CaCl2 & NaNO3,alanine boronic acid, pH 6.5, VAPOR DIFFUSION, temperature 295K, pH 6.50, VAPOR DIFFUSION, HANGING DROP |
