4RLR
Structure of monoheme cytochrome PccH from Geobacter sulfurreducens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-19 |
| Wavelength(s) | 1.72202, 0.97927 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.311, 63.311, 78.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.552 - 2.002 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.23160 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.492 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.054 | 0.388 |
| Number of reflections | 11316 | |
| <I/σ(I)> | 46 | 4.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Crystal screen #45 (0.2 M zinc acetate, 0.1 M sodium cacodylate pH 6.5, 18% PEG8000) diluted 4:1 by water, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
