7PR4
Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
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 | 2020-07-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.624, 36.106, 82.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.450 - 1.320 |
R-factor | 0.1887 |
Rwork | 0.187 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lyc |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.450 | 1.300 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmeas | 0.217 | 0.881 |
Rpim | 0.065 | 0.418 |
Number of reflections | 26001 | 1216 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 99.6 | |
Redundancy | 10.6 | |
CC(1/2) | 0.984 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 20% PEG 3350, 100 mM sodium acetate pH 5.6, 10 mM zinc acetate |