7PR3
Cocrystal Form I 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 | 2020-01-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.135, 79.772, 105.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.550 - 2.370 |
R-factor | 0.2098 |
Rwork | 0.207 |
R-free | 0.25310 |
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] | 63.500 | 2.400 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.363 | |
Rpim | 0.100 | |
Number of reflections | 21540 | 1057 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 100.0 | |
Redundancy | 7.7 | |
CC(1/2) | 0.996 | 0.791 |
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, 30 mM zinc acetate |