7PR2
Cocrystal of cytochrome c and sulfonato-thiacalix[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 | 2020-01-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.557, 63.872, 90.782 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.240 - 1.730 |
R-factor | 0.2059 |
Rwork | 0.204 |
R-free | 0.25100 |
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] | 52.200 | 1.700 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 23336 | 1143 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.9 | |
Redundancy | 8.9 | |
CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25% PEG 3350, 100 mM tri-Sodium citrate pH 5.6, 100 mM Magnesium chloride |