3H4N
PpcD, A cytochrome c7 from Geobacter sulfurreducens
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-25 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.74041, 1.73818, 1.78832, 1.69077, 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.400, 55.900, 94.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.040 - 1.350 |
R-factor | 0.15171 |
Rwork | 0.149 |
R-free | 0.17256 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.413 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.390 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.047 | 0.147 |
Number of reflections | 60576 | |
<I/σ(I)> | 42.1 | 8.4 |
Completeness [%] | 97.0 | 79 |
Redundancy | 4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | Crystal obtained from Index screen-95 (30% PEG monomethylether 2000, 0.1 M potassium thiocyanate), pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |