6HY8
Cu(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 | 78.841, 78.841, 37.193 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.420 - 1.220 |
| R-factor | 0.1391 |
| Rwork | 0.138 |
| R-free | 0.15490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 1LYZ |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.963 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.420 | 39.420 | 1.240 |
| High resolution limit [Å] | 1.220 | 6.680 | 1.220 |
| Rmerge | 0.082 | 0.059 | 0.750 |
| Rmeas | 0.084 | 0.061 | 0.768 |
| Rpim | 0.017 | 0.013 | 0.160 |
| Total number of observations | 844557 | 5507 | 39859 |
| Number of reflections | 35507 | 279 | 1740 |
| <I/σ(I)> | 28 | 59.1 | 4.5 |
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 23.8 | 19.7 | 22.9 |
| CC(1/2) | 1.000 | 0.999 | 0.943 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4 | 289 | 1.75 mM HEWL, 0.8 mM 1:1 Cu(II)-Wells-Dawson, 2.60 M NaCl, 0.1 M Bis-Tris pH = 5.5 |
