6HY6
Ni(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 | 78.937, 78.937, 37.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.704 - 1.870 |
| R-factor | 0.1637 |
| Rwork | 0.162 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lyz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.188 |
| 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] | 39.470 | 39.470 | 1.910 |
| High resolution limit [Å] | 1.870 | 8.970 | 1.870 |
| Rmerge | 0.144 | 0.065 | 0.787 |
| Rmeas | 0.149 | 0.068 | 0.814 |
| Rpim | 0.039 | 0.020 | 0.209 |
| Total number of observations | 144540 | 1258 | 9529 |
| Number of reflections | 10230 | 125 | 638 |
| <I/σ(I)> | 20.5 | 36.3 | 6.1 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 14.1 | 10.1 | 14.9 |
| CC(1/2) | 0.998 | 0.998 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4 | 289 | 1.40 mM HEWL, 1.0 mM 1:1 Ni(II)-Wells-Dawson, 0.75 M LiCl, 30% PEG 6000, 0.1 M Citric acid pH = 4.0 |
