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 |