3EIM
Metal exchange in Thermolysin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.710, 92.710, 128.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.880 |
R-factor | 0.1856 |
Rwork | 0.186 |
R-free | 0.25230 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1tmn |
RMSD bond length | 0.006 |
RMSD bond angle | 0.021 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 27294 | |
<I/σ(I)> | 18.3 | 4.3 |
Completeness [%] | 99.9 | |
Redundancy | 7.3 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 288 | 50mM Tris/HCl, 50%DMSO, 1,9MCsCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K |