4XYY
Hen Egg-White Lysozyme (HEWL) complexed with Zr(IV)-substituted Keggin-type polyoxometalate
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 | 2014-09-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.232, 77.232, 37.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.616 - 1.380 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.18370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.040 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.620 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.113 | 0.695 |
| Number of reflections | 45045 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 7.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 289 | 0.1 M Sodium HEPES pH 7.5, 2.0 M Ammonium sulphate |
