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 |
