3HQ6
Cytochrome c peroxidase from G. sulfurreducens, wild type
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 | 2007-03-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.241, 55.783, 78.644 |
| Unit cell angles | 68.69, 71.84, 57.76 |
Refinement procedure
| Resolution | 70.000 - 2.000 |
| R-factor | 0.19309 |
| Rwork | 0.189 |
| R-free | 0.26606 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eb7 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.221 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.285 | |
| Number of reflections | 48428 | |
| <I/σ(I)> | 7.9 | 3 |
| Completeness [%] | 96.4 | 97.7 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 16 % PEG 10000 0.1 M HEPES/NaOH, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
