6EGY
Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 149.300, 149.300, 149.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 105.570 - 2.700 |
R-factor | 0.2285 |
Rwork | 0.226 |
R-free | 0.27310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ycc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.296 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.570 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rpim | 0.090 | 0.605 |
Number of reflections | 8115 | 1051 |
<I/σ(I)> | 6.9 | 1.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 37.4 | 33.8 |
CC(1/2) | 0.980 | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M sodium citrate, 0.1 M Sodium Chloride, and 0.1 M Sodium Sulfate |