5CIE
Complex of yeast cytochrome c peroxidase (W191G) bound to aniline with iso-1 cytochrome c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.379, 110.329, 87.879 |
| Unit cell angles | 90.00, 105.51, 90.00 |
Refinement procedure
| Resolution | 39.529 - 2.600 |
| R-factor | 0.2536 |
| Rwork | 0.250 |
| R-free | 0.29410 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.981 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.158 | 0.136 | 0.537 |
| Total number of observations | 86589 | ||
| Number of reflections | 27854 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 95.7 | 92.6 | 92.3 |
| Redundancy | 3.1 | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG 3350 15-15%, 100 mM NaAcetate, 175 mM NaCl |
