5T8W
Cytochrome c - calixarene free
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 123 |
| Detector technology | CCD |
| Collection date | 2015-07-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.854, 55.436, 96.564 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.077 - 1.600 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tyi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.142 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.080 | 48.080 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.060 | 0.021 | 0.694 |
| Rmeas | 0.071 | 0.026 | 0.813 |
| Rpim | 0.036 | 0.015 | 0.419 |
| Total number of observations | 96391 | 594 | 4780 |
| Number of reflections | 26212 | ||
| <I/σ(I)> | 12.9 | 35.6 | 1.5 |
| Completeness [%] | 100.0 | 97.5 | 100 |
| Redundancy | 3.7 | 3 | 3.7 |
| CC(1/2) | 0.998 | 0.994 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.5 | 0.3 uL of 1.2 mM cytochrome c and 8 mM phenyl-trisulfonato-calix[4]arene 0.15 uL reservoir solution (20 mM PEG 3350, 200 mM ammonium chloride pH 6.3) 0.1 uL seed solution (from 3TYI crystals) |
