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 |