6HY4
Co(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.734, 78.734, 37.179 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.919 - 1.830 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1LYZ |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.547 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.370 | 39.370 | 1.870 |
| High resolution limit [Å] | 1.830 | 8.970 | 1.830 |
| Rmerge | 0.130 | 0.094 | 0.761 |
| Rmeas | 0.135 | 0.099 | 0.793 |
| Rpim | 0.036 | 0.028 | 0.221 |
| Total number of observations | 145454 | 1335 | 8390 |
| Number of reflections | 10817 | 123 | 658 |
| <I/σ(I)> | 14.4 | 27.1 | 3.1 |
| Completeness [%] | 100.0 | 98.3 | 100 |
| Redundancy | 13.4 | 10.9 | 12.8 |
| CC(1/2) | 0.997 | 0.995 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4 | 289 | 1.40 mM HEWL, 1.0 mM 1:1 Co(II)-Wells-Dawson, 0.50 M LiCl, 30% PEG 6000, 0.1 M Citric acid pH = 4.0 |
