2H6B
Crystal structure of oxidized CprK in complex with o-chlorophenolacetic acid
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] | 100 |
Detector technology | CCD |
Collection date | 2004-03-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 104.437, 112.185, 119.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.200 |
R-factor | 0.18579 |
Rwork | 0.183 |
R-free | 0.22945 |
Structure solution method | MIR |
RMSD bond length | 0.024 |
RMSD bond angle | 1.989 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.102 | 0.573 |
Number of reflections | 35512 | |
<I/σ(I)> | 16.6 | 2.5 |
Completeness [%] | 99.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.8 M Ammonium sulphate, 1mM orthochlorophenol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |