2ICV
Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.958, 52.477, 136.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1BES |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.913 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.048 | 0.302 |
| Number of reflections | 34426 | |
| Completeness [%] | 83.1 | 83.1 |
| Redundancy | 6.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 1.0 M hexanediol in 0.1 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 4.6 |
