2BDI
Human Kallikrein 4 complex with cobalt and p-aminobenzamidine
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 | 2003-12-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 147.050, 73.860, 154.380 |
| Unit cell angles | 90.00, 102.41, 90.00 |
Refinement procedure
| Resolution | 19.900 - 3.000 |
| R-factor | 0.258 |
| Rwork | 0.258 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | hk4 with nickel |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.100 |
| 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 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 95468 | |
| <I/σ(I)> | 6.99 | |
| Completeness [%] | 85.1 | 76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.6 M ammonium sulphate, 100 mM MES, 10 mM cobalt chloride , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
